(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C20H31N5O2 — CID 95563492

IUPAC(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESNCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C20H31N5O2/c21-9-6-19(26)24-12-7-18(8-13-24)25-11-3-4-16(15-25)20(27)23-14-17-5-1-2-10-22-17/h1-2,5,10,16,18H,3-4,6-9,11-15,21H2,(H,23,27)/t16-/m1/s1
InChIKeyVCIGYETUELKGCM-MRXNPFEDSA-N
MW373.50 g/mol
LogP0.75
Rot. Bonds6

About (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95563492) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID95563492
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESNCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
InChIInChI=1S/C20H31N5O2/c21-9-6-19(26)24-12-7-18(8-13-24)25-11-3-4-16(15-25)20(27)23-14-17-5-1-2-10-22-17/h1-2,5,10,16,18H,3-4,6-9,11-15,21H2,(H,23,27)/t16-/m1/s1
InChIKeyVCIGYETUELKGCM-MRXNPFEDSA-N
XLogP0.75
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95435827
1-(1-pentanoylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56863441
(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96577754
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 95543017
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3R)-1-[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96582024
1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56872617
(3R)-1-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96572670
(3S)-1-(1-pyrazin-2-ylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95555076
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 95563492) is (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is NCCC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1.
What is the InChIKey of (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VCIGYETUELKGCM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31N5O2/c21-9-6-19(26)24-12-7-18(8-13-24)25-11-3-4-16(15-25)20(27)23-14-17-5-1-2-10-22-17/h1-2,5,10,16,18H,3-4,6-9,11-15,21H2,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95563492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).