(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide

C20H28N4O — CID 95527922

IUPAC(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide
SMILESCc1cccc(N2CCC(NC(=O)C[C@@H](C)n3ccnc3C)CC2)c1
InChIInChI=1S/C20H28N4O/c1-15-5-4-6-19(13-15)23-10-7-18(8-11-23)22-20(25)14-16(2)24-12-9-21-17(24)3/h4-6,9,12-13,16,18H,7-8,10-11,14H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyQUMZMFPXNTUGES-MRXNPFEDSA-N
MW340.47 g/mol
LogP3.24
Rot. Bonds5

About (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide

(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide (PubChem CID 95527922) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide
PubChem CID95527922
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide
SMILESCc1cccc(N2CCC(NC(=O)C[C@@H](C)n3ccnc3C)CC2)c1
InChIInChI=1S/C20H28N4O/c1-15-5-4-6-19(13-15)23-10-7-18(8-11-23)22-20(25)14-16(2)24-12-9-21-17(24)3/h4-6,9,12-13,16,18H,7-8,10-11,14H2,1-3H3,(H,22,25)/t16-/m1/s1
InChIKeyQUMZMFPXNTUGES-MRXNPFEDSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methylphenyl)piperidin-4-yl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91779821
(3S)-3-amino-4-[[1-(3-methylphenyl)piperidin-4-yl]amino]-4-oxobutanoic acid
CID 131933132
2-(3-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 110712574
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
N-[1-(3-methylphenyl)piperidin-4-yl]azetidine-2-carboxamide
CID 131916614
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide
CID 45205799
N-(4-hydroxycyclohexyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 72879612
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
2-hydroxy-2-(4-methoxyphenyl)-N-[1-(3-methylphenyl)piperidin-4-yl]acetamide
CID 118763996

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide?
The IUPAC name of (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide (CID 95527922) is (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide.
What is the SMILES notation for (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide?
The canonical SMILES for (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide is Cc1cccc(N2CCC(NC(=O)C[C@@H](C)n3ccnc3C)CC2)c1.
What is the InChIKey of (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide?
The InChIKey is QUMZMFPXNTUGES-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15-5-4-6-19(13-15)23-10-7-18(8-11-23)22-20(25)14-16(2)24-12-9-21-17(24)3/h4-6,9,12-13,16,18H,7-8,10-11,14H2,1-3H3,(H,22,25)/t16-/m1/s1.
What are the key properties of (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide?
(3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide has a molecular weight of 340.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylimidazol-1-yl)-N-[1-(3-methylphenyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 95527922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).