N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

C21H30N4O3 — CID 56877310

IUPACN-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cccc(C(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c1=O
InChIInChI=1S/C21H30N4O3/c1-23-10-3-5-18(20(23)27)21(28)24-12-8-17(9-13-24)25-11-2-4-15(14-25)19(26)22-16-6-7-16/h3,5,10,15-17H,2,4,6-9,11-14H2,1H3,(H,22,26)
InChIKeyMZKQCPYKRVTGNV-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.98
Rot. Bonds4

About N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56877310) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56877310
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1cccc(C(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c1=O
InChIInChI=1S/C21H30N4O3/c1-23-10-3-5-18(20(23)27)21(28)24-12-8-17(9-13-24)25-11-2-4-15(14-25)19(26)22-16-6-7-16/h3,5,10,15-17H,2,4,6-9,11-14H2,1H3,(H,22,26)
InChIKeyMZKQCPYKRVTGNV-UHFFFAOYSA-N
XLogP0.98
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide (CID 56877310) is N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is Cn1cccc(C(=O)N2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c1=O.
What is the InChIKey of N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is MZKQCPYKRVTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-23-10-3-5-18(20(23)27)21(28)24-12-8-17(9-13-24)25-11-2-4-15(14-25)19(26)22-16-6-7-16/h3,5,10,15-17H,2,4,6-9,11-14H2,1H3,(H,22,26).
What are the key properties of N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(1-methyl-2-oxopyridine-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56877310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).