N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide

C23H34N4O2 — CID 171675893

IUPACN-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCC1CCC1)C1CCN(C2CCN(C(=O)Cc3ccncc3)CC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(16-18-4-10-24-11-5-18)27-14-8-21(9-15-27)26-12-6-20(7-13-26)23(29)25-17-19-2-1-3-19/h4-5,10-11,19-21H,1-3,6-9,12-17H2,(H,25,29)
InChIKeyPVIPGSTZURKTSU-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.24
Rot. Bonds6

About N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide

N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 171675893) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID171675893
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NCC1CCC1)C1CCN(C2CCN(C(=O)Cc3ccncc3)CC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(16-18-4-10-24-11-5-18)27-14-8-21(9-15-27)26-12-6-20(7-13-26)23(29)25-17-19-2-1-3-19/h4-5,10-11,19-21H,1-3,6-9,12-17H2,(H,25,29)
InChIKeyPVIPGSTZURKTSU-UHFFFAOYSA-N
XLogP2.24
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 26400411
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
1-(4-aminopiperidin-1-yl)-2-pyridin-4-ylethanone
CID 16793351
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
1-[2-(4-cyclobutylpiperazine-1-carbonyl)-7-azaspiro[3.5]nonan-7-yl]-2-pyridin-4-ylethanone
CID 59333116
N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42458414
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
2-(2-chlorophenyl)-N-[[1-(2-pyridin-4-ylacetyl)piperidin-3-yl]methyl]acetamide
CID 131947340
2-(2-chlorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617138

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide (CID 171675893) is N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide is O=C(NCC1CCC1)C1CCN(C2CCN(C(=O)Cc3ccncc3)CC2)CC1.
What is the InChIKey of N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is PVIPGSTZURKTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c28-22(16-18-4-10-24-11-5-18)27-14-8-21(9-15-27)26-12-6-20(7-13-26)23(29)25-17-19-2-1-3-19/h4-5,10-11,19-21H,1-3,6-9,12-17H2,(H,25,29).
What are the key properties of N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide?
N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 171675893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).