4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide

C20H26N4O — CID 92636450

IUPAC4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(CCCc3ccccc3)CC2)ncc1C(N)=O
InChIInChI=1S/C20H26N4O/c1-15-18(19(21)25)14-22-20(23-15)17-9-12-24(13-10-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,21,25)
InChIKeyZRNHCRABDADZBW-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.70
Rot. Bonds6

About 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide

4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide (PubChem CID 92636450) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
PubChem CID92636450
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(CCCc3ccccc3)CC2)ncc1C(N)=O
InChIInChI=1S/C20H26N4O/c1-15-18(19(21)25)14-22-20(23-15)17-9-12-24(13-10-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,21,25)
InChIKeyZRNHCRABDADZBW-UHFFFAOYSA-N
XLogP2.70
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
4-methyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 110253776
N,N,4-trimethyl-2-[(2R)-1-(3-phenylpropyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95805982
2-[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 110084895
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390
N,N,4-trimethyl-2-[1-[2-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640331
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
5-methyl-2-[1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-imidazole
CID 110104616
(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
CID 11682970
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
4-(1,3-dihydroisoindol-2-yl)-1-[(3S)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]butan-1-one
CID 92637858

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide (CID 92636450) is 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide is Cc1nc(C2CCN(CCCc3ccccc3)CC2)ncc1C(N)=O.
What is the InChIKey of 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is ZRNHCRABDADZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-18(19(21)25)14-22-20(23-15)17-9-12-24(13-10-17)11-5-8-16-6-3-2-4-7-16/h2-4,6-7,14,17H,5,8-13H2,1H3,(H2,21,25).
What are the key properties of 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide?
4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-phenylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92636450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).