N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C21H32N4O3 — CID 56917918

IUPACN-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)cc1=O
InChIInChI=1S/C21H32N4O3/c1-28-20-12-22-17(11-19(20)26)14-24-9-6-18(7-10-24)25-8-2-3-15(13-25)21(27)23-16-4-5-16/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyHVHHRTDLARUVHJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.34
Rot. Bonds6

About N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56917918) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56917918
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC NameN-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCOc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)cc1=O
InChIInChI=1S/C21H32N4O3/c1-28-20-12-22-17(11-19(20)26)14-24-9-6-18(7-10-24)25-8-2-3-15(13-25)21(27)23-16-4-5-16/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,22,26)(H,23,27)
InChIKeyHVHHRTDLARUVHJ-UHFFFAOYSA-N
XLogP1.34
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56917918) is N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is COc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)cc1=O.
What is the InChIKey of N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is HVHHRTDLARUVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-28-20-12-22-17(11-19(20)26)14-24-9-6-18(7-10-24)25-8-2-3-15(13-25)21(27)23-16-4-5-16/h11-12,15-16,18H,2-10,13-14H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(5-methoxy-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56917918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).