9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride

C41H50ClN5O5 — CID 134496565

IUPAC9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride
SMILESCC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21)C1CCNCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C41H49N5O5.ClH/c1-26(45(2)41(50)51-25-34-32-16-7-5-14-30(32)31-15-6-8-17-33(31)34)38(47)44-37(28-20-22-42-23-21-28)40(49)46-24-10-19-36(46)39(48)43-35-18-9-12-27-11-3-4-13-29(27)35;/h3-8,11,13-17,26,28,34-37,42H,9-10,12,18-25H2,1-2H3,(H,43,48)(H,44,47);1H/t26?,35-,36?,37+;/m1./s1
InChIKeyLSJBSFGHMQQHJN-WQUXTSESSA-N
MW728.33 g/mol
LogP5.35
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride

9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride (PubChem CID 134496565) has the molecular formula C41H50ClN5O5 and a molecular weight of 728.33 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride
PubChem CID134496565
Molecular FormulaC41H50ClN5O5
Molecular Weight728.33 g/mol
Exact Mass727.35
IUPAC Name9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride
SMILESCC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21)C1CCNCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C41H49N5O5.ClH/c1-26(45(2)41(50)51-25-34-32-16-7-5-14-30(32)31-15-6-8-17-33(31)34)38(47)44-37(28-20-22-42-23-21-28)40(49)46-24-10-19-36(46)39(48)43-35-18-9-12-27-11-3-4-13-29(27)35;/h3-8,11,13-17,26,28,34-37,42H,9-10,12,18-25H2,1-2H3,(H,43,48)(H,44,47);1H/t26?,35-,36?,37+;/m1./s1
InChIKeyLSJBSFGHMQQHJN-WQUXTSESSA-N
XLogP5.35
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms52
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.33
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride (CID 134496565) is 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride is CC(C(=O)N[C@H](C(=O)N1CCCC1C(=O)N[C@@H]1CCCc2ccccc21)C1CCNCC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride?
The InChIKey is LSJBSFGHMQQHJN-WQUXTSESSA-N. The full InChI is InChI=1S/C41H49N5O5.ClH/c1-26(45(2)41(50)51-25-34-32-16-7-5-14-30(32)31-15-6-8-17-33(31)34)38(47)44-37(28-20-22-42-23-21-28)40(49)46-24-10-19-36(46)39(48)43-35-18-9-12-27-11-3-4-13-29(27)35;/h3-8,11,13-17,26,28,34-37,42H,9-10,12,18-25H2,1-2H3,(H,43,48)(H,44,47);1H/t26?,35-,36?,37+;/m1./s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride?
9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride has a molecular weight of 728.33 g/mol, XLogP of 5.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-methyl-N-[1-oxo-1-[[(1S)-2-oxo-1-piperidin-4-yl-2-[2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]ethyl]amino]propan-2-yl]carbamate;hydrochloride is sourced from PubChem (CID 134496565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).