4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide

C25H32N4O2 — CID 55913038

IUPAC4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)NCc3ccnc(N4CCCCC4)c3)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-19-5-7-21(8-6-19)24(30)22-10-15-29(16-11-22)25(31)27-18-20-9-12-26-23(17-20)28-13-3-2-4-14-28/h5-9,12,17,22H,2-4,10-11,13-16,18H2,1H3,(H,27,31)
InChIKeyVRHFPBCBMKBSHK-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.18
Rot. Bonds5

About 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide

4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 55913038) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID55913038
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)C2CCN(C(=O)NCc3ccnc(N4CCCCC4)c3)CC2)cc1
InChIInChI=1S/C25H32N4O2/c1-19-5-7-21(8-6-19)24(30)22-10-15-29(16-11-22)25(31)27-18-20-9-12-26-23(17-20)28-13-3-2-4-14-28/h5-9,12,17,22H,2-4,10-11,13-16,18H2,1H3,(H,27,31)
InChIKeyVRHFPBCBMKBSHK-UHFFFAOYSA-N
XLogP4.18
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55793525
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 86898973
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate
CID 136523588
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111984605

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide (CID 55913038) is 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide is Cc1ccc(C(=O)C2CCN(C(=O)NCc3ccnc(N4CCCCC4)c3)CC2)cc1.
What is the InChIKey of 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is VRHFPBCBMKBSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-5-7-21(8-6-19)24(30)22-10-15-29(16-11-22)25(31)27-18-20-9-12-26-23(17-20)28-13-3-2-4-14-28/h5-9,12,17,22H,2-4,10-11,13-16,18H2,1H3,(H,27,31).
What are the key properties of 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 55913038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).