tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

C26H39N3O4 — CID 129290819

IUPACtert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESCC(C(=O)N1CCOCC1)N1CCC(N(C(=O)OC(C)(C)C)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C26H39N3O4/c1-19(24(30)28-14-16-32-17-15-28)27-12-10-21(11-13-27)29(25(31)33-26(2,3)4)23-18-22(23)20-8-6-5-7-9-20/h5-9,19,21-23H,10-18H2,1-4H3/t19?,22-,23+/m0/s1
InChIKeyCWWQZNDTEFPADV-NWZLQDFTSA-N
MW457.62 g/mol
LogP3.49
Rot. Bonds5

About tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate

tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (PubChem CID 129290819) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
PubChem CID129290819
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Nametert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate
SMILESCC(C(=O)N1CCOCC1)N1CCC(N(C(=O)OC(C)(C)C)[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C26H39N3O4/c1-19(24(30)28-14-16-32-17-15-28)27-12-10-21(11-13-27)29(25(31)33-26(2,3)4)23-18-22(23)20-8-6-5-7-9-20/h5-9,19,21-23H,10-18H2,1-4H3/t19?,22-,23+/m0/s1
InChIKeyCWWQZNDTEFPADV-NWZLQDFTSA-N
XLogP3.49
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate (CID 129290819) is tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is CC(C(=O)N1CCOCC1)N1CCC(N(C(=O)OC(C)(C)C)[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
The InChIKey is CWWQZNDTEFPADV-NWZLQDFTSA-N. The full InChI is InChI=1S/C26H39N3O4/c1-19(24(30)28-14-16-32-17-15-28)27-12-10-21(11-13-27)29(25(31)33-26(2,3)4)23-18-22(23)20-8-6-5-7-9-20/h5-9,19,21-23H,10-18H2,1-4H3/t19?,22-,23+/m0/s1.
What are the key properties of tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate?
tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate has a molecular weight of 457.62 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidin-4-yl]-N-[(1R,2S)-2-phenylcyclopropyl]carbamate is sourced from PubChem (CID 129290819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).