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

C22H34N4O2 — CID 56874661

IUPACN-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c(C)c1=O
InChIInChI=1S/C22H34N4O2/c1-15-12-23-20(16(2)21(15)27)14-25-10-7-19(8-11-25)26-9-3-4-17(13-26)22(28)24-18-5-6-18/h12,17-19H,3-11,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYFIGRJIOIPODKN-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.95
Rot. Bonds5

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

N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 56874661) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID56874661
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c(C)c1=O
InChIInChI=1S/C22H34N4O2/c1-15-12-23-20(16(2)21(15)27)14-25-10-7-19(8-11-25)26-9-3-4-17(13-26)22(28)24-18-5-6-18/h12,17-19H,3-11,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyYFIGRJIOIPODKN-UHFFFAOYSA-N
XLogP1.95
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

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CID 26336295
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CID 42317901
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CID 45226253
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CID 56867464
CID 56867464
CID 70732092
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CID 70734903
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CID 70739020
CID 70739020

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 56874661) is N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is Cc1c[nH]c(CN2CCC(N3CCCC(C(=O)NC4CC4)C3)CC2)c(C)c1=O.
What is the InChIKey of N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is YFIGRJIOIPODKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-15-12-23-20(16(2)21(15)27)14-25-10-7-19(8-11-25)26-9-3-4-17(13-26)22(28)24-18-5-6-18/h12,17-19H,3-11,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 56874661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).