(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide

C22H28N4O2 — CID 95545433

IUPAC(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c23-14-16-3-5-17(6-4-16)22(28)25-12-9-20(10-13-25)26-11-1-2-18(15-26)21(27)24-19-7-8-19/h3-6,18-20H,1-2,7-13,15H2,(H,24,27)/t18-/m1/s1
InChIKeyFRVDDXZBBRNOJD-GOSISDBHSA-N
MW380.49 g/mol
LogP2.15
Rot. Bonds4

About (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide

(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 95545433) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID95545433
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c23-14-16-3-5-17(6-4-16)22(28)25-12-9-20(10-13-25)26-11-1-2-18(15-26)21(27)24-19-7-8-19/h3-6,18-20H,1-2,7-13,15H2,(H,24,27)/t18-/m1/s1
InChIKeyFRVDDXZBBRNOJD-GOSISDBHSA-N
XLogP2.15
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95551898
(3R)-N-cyclopropyl-1-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95415295
(3R)-N-cyclopropyl-1-[1-(2-methylpyrimidine-5-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95445088
N-cyclopropyl-1-[1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867464
(3R)-N-cyclopropyl-1-[1-(3-hydroxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95543594
(3S)-N-cyclopropyl-1-[1-(tetrazolo[1,5-a]pyridine-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95549628
(3S)-N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557954
N-cyclopropyl-1-[1-(5-methylthiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56878546
(3S)-1-[2-(4-cyanoanilino)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 94392086
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]phenoxy]benzonitrile
CID 24794508

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide (CID 95545433) is (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide is N#Cc1ccc(C(=O)N2CCC(N3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1.
What is the InChIKey of (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is FRVDDXZBBRNOJD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-14-16-3-5-17(6-4-16)22(28)25-12-9-20(10-13-25)26-11-1-2-18(15-26)21(27)24-19-7-8-19/h3-6,18-20H,1-2,7-13,15H2,(H,24,27)/t18-/m1/s1.
What are the key properties of (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 95545433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).