N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide

C20H29ClN4O2 — CID 119856489

IUPACN-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
SMILESCC(CC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)C1CCCNC1
InChIInChI=1S/C20H29ClN4O2/c1-14(15-4-2-8-22-11-15)10-19(26)25-9-3-5-16(13-25)20(27)24-18-7-6-17(21)12-23-18/h6-7,12,14-16,22H,2-5,8-11,13H2,1H3,(H,23,24,27)
InChIKeyLGRDVOVJCUALAV-UHFFFAOYSA-N
MW392.93 g/mol
LogP2.94
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide (PubChem CID 119856489) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
PubChem CID119856489
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
SMILESCC(CC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)C1CCCNC1
InChIInChI=1S/C20H29ClN4O2/c1-14(15-4-2-8-22-11-15)10-19(26)25-9-3-5-16(13-25)20(27)24-18-7-6-17(21)12-23-18/h6-7,12,14-16,22H,2-5,8-11,13H2,1H3,(H,23,24,27)
InChIKeyLGRDVOVJCUALAV-UHFFFAOYSA-N
XLogP2.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119762851
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 55815661
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
1-[4-(4-chlorobenzoyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119724457
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
CID 55993829
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide (CID 119856489) is N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide is CC(CC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1)C1CCCNC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
The InChIKey is LGRDVOVJCUALAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-14(15-4-2-8-22-11-15)10-19(26)25-9-3-5-16(13-25)20(27)24-18-7-6-17(21)12-23-18/h6-7,12,14-16,22H,2-5,8-11,13H2,1H3,(H,23,24,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide has a molecular weight of 392.93 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119856489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).