N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C23H31N5O — CID 134034927

IUPACN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C23H31N5O/c1-26(17-19-8-10-21(11-9-19)27-14-3-2-4-15-27)22(29)20-7-5-16-28(18-20)23-24-12-6-13-25-23/h6,8-13,20H,2-5,7,14-18H2,1H3
InChIKeyFBOPCNQCCIEMIS-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.34
Rot. Bonds5

About N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 134034927) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID134034927
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC NameN-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C23H31N5O/c1-26(17-19-8-10-21(11-9-19)27-14-3-2-4-15-27)22(29)20-7-5-16-28(18-20)23-24-12-6-13-25-23/h6,8-13,20H,2-5,7,14-18H2,1H3
InChIKeyFBOPCNQCCIEMIS-UHFFFAOYSA-N
XLogP3.34
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-methyl-1-pyrido[2,3-b]pyrazin-7-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95100909
(3S)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 124879553
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 43043397
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 137287016
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55654055
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 39692566
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
(1'R,5'S)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxamide
CID 25382686
N-benzyl-1-(6-methoxypyridazin-3-yl)-N-methylpiperidine-3-carboxamide
CID 75490694

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 134034927) is N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is FBOPCNQCCIEMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-26(17-19-8-10-21(11-9-19)27-14-3-2-4-15-27)22(29)20-7-5-16-28(18-20)23-24-12-6-13-25-23/h6,8-13,20H,2-5,7,14-18H2,1H3.
What are the key properties of N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134034927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).