phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene

C27H32N2OS — CID 142015550

IUPACphenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
SMILESO=C(c1ccccc1)N1CCC(CN2CCC(c3ccccc3)CC2)C1.c1ccsc1
InChIInChI=1S/C23H28N2O.C4H4S/c26-23(22-9-5-2-6-10-22)25-16-11-19(18-25)17-24-14-12-21(13-15-24)20-7-3-1-4-8-20;1-2-4-5-3-1/h1-10,19,21H,11-18H2;1-4H
InChIKeyLTSKDIOGLGOVDU-UHFFFAOYSA-N
MW432.63 g/mol
LogP5.78
Rot. Bonds4

About phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene

phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene (PubChem CID 142015550) has the molecular formula C27H32N2OS and a molecular weight of 432.63 g/mol. Its IUPAC name is phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene.

Molecular Properties

Compound Namephenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
PubChem CID142015550
Molecular FormulaC27H32N2OS
Molecular Weight432.63 g/mol
Exact Mass432.22
IUPAC Namephenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene
SMILESO=C(c1ccccc1)N1CCC(CN2CCC(c3ccccc3)CC2)C1.c1ccsc1
InChIInChI=1S/C23H28N2O.C4H4S/c26-23(22-9-5-2-6-10-22)25-16-11-19(18-25)17-24-14-12-21(13-15-24)20-7-3-1-4-8-20;1-2-4-5-3-1/h1-10,19,21H,11-18H2;1-4H
InChIKeyLTSKDIOGLGOVDU-UHFFFAOYSA-N
XLogP5.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-benzylpyrrolidin-3-yl)methyl]-4-phenylpiperidine;thiophene
CID 142015532
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(5-pyridin-2-ylthiophen-3-yl)methanone;thiophene
CID 142015543
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
[(3R)-3-[[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 124740652
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone;thiophene
CID 142015525
phenyl-[(3R)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 100748063
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-7-yl)methanone;thiophene
CID 142015184
[4-[(1-benzoylpyrrolidin-3-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 127265903
[4-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 129481889
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 142014913
[3-hydroxy-4-(4-phenylpiperidin-1-yl)piperidin-1-yl]-phenylmethanone
CID 54466721
3-[7-[(3R)-3-[[4-(4-methylphenyl)piperidin-1-yl]methyl]pyrrolidine-1-carbonyl]indol-1-yl]propanamide;thiophene
CID 142015578

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene?
The IUPAC name of phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene (CID 142015550) is phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene.
What is the SMILES notation for phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene?
The canonical SMILES for phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene is O=C(c1ccccc1)N1CCC(CN2CCC(c3ccccc3)CC2)C1.c1ccsc1.
What is the InChIKey of phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene?
The InChIKey is LTSKDIOGLGOVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O.C4H4S/c26-23(22-9-5-2-6-10-22)25-16-11-19(18-25)17-24-14-12-21(13-15-24)20-7-3-1-4-8-20;1-2-4-5-3-1/h1-10,19,21H,11-18H2;1-4H.
What are the key properties of phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene?
phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene has a molecular weight of 432.63 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone;thiophene is sourced from PubChem (CID 142015550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).