N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

C24H32ClN5O — CID 53031048

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)C2)n1
InChIInChI=1S/C24H32ClN5O/c1-18-8-11-26-24(28-18)30-12-4-6-21(17-30)23(31)27-15-19-9-13-29(14-10-19)16-20-5-2-3-7-22(20)25/h2-3,5,7-8,11,19,21H,4,6,9-10,12-17H2,1H3,(H,27,31)
InChIKeyFLBLKYDYQNHXHW-UHFFFAOYSA-N
MW442.01 g/mol
LogP3.68
Rot. Bonds6

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 53031048) has the molecular formula C24H32ClN5O and a molecular weight of 442.01 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID53031048
Molecular FormulaC24H32ClN5O
Molecular Weight442.01 g/mol
Exact Mass441.23
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCc1ccnc(N2CCCC(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)C2)n1
InChIInChI=1S/C24H32ClN5O/c1-18-8-11-26-24(28-18)30-12-4-6-21(17-30)23(31)27-15-19-9-13-29(14-10-19)16-20-5-2-3-7-22(20)25/h2-3,5,7-8,11,19,21H,4,6,9-10,12-17H2,1H3,(H,27,31)
InChIKeyFLBLKYDYQNHXHW-UHFFFAOYSA-N
XLogP3.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.01
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53031034
N-[(2-methylphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 53035331
(3S)-N-(2-ethylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452595
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
N-[(2-chlorophenyl)methyl]-1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134797699
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide
CID 119879576
N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223399
(3R)-N-(furan-2-ylmethyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452670
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119879575
(3S)-N-(3-chloro-4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452692
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide (CID 53031048) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is Cc1ccnc(N2CCCC(C(=O)NCC3CCN(Cc4ccccc4Cl)CC3)C2)n1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is FLBLKYDYQNHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5O/c1-18-8-11-26-24(28-18)30-12-4-6-21(17-30)23(31)27-15-19-9-13-29(14-10-19)16-20-5-2-3-7-22(20)25/h2-3,5,7-8,11,19,21H,4,6,9-10,12-17H2,1H3,(H,27,31).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 442.01 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 53031048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).