(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C27H35N3O2 — CID 92587317

IUPAC(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C27H35N3O2/c1-2-15-29-26(32)27(14-5-18-30(20-27)25(31)24-6-3-4-7-24)19-21-8-10-22(11-9-21)23-12-16-28-17-13-23/h8-13,16-17,24H,2-7,14-15,18-20H2,1H3,(H,29,32)/t27-/m1/s1
InChIKeyUGVANFFPIOBOQG-HHHXNRCGSA-N
MW433.60 g/mol
LogP4.62
Rot. Bonds7

About (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92587317) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92587317
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)C2CCCC2)C1
InChIInChI=1S/C27H35N3O2/c1-2-15-29-26(32)27(14-5-18-30(20-27)25(31)24-6-3-4-7-24)19-21-8-10-22(11-9-21)23-12-16-28-17-13-23/h8-13,16-17,24H,2-7,14-15,18-20H2,1H3,(H,29,32)/t27-/m1/s1
InChIKeyUGVANFFPIOBOQG-HHHXNRCGSA-N
XLogP4.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92587317) is (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)C2CCCC2)C1.
What is the InChIKey of (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is UGVANFFPIOBOQG-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-2-15-29-26(32)27(14-5-18-30(20-27)25(31)24-6-3-4-7-24)19-21-8-10-22(11-9-21)23-12-16-28-17-13-23/h8-13,16-17,24H,2-7,14-15,18-20H2,1H3,(H,29,32)/t27-/m1/s1.
What are the key properties of (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92587317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).