(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C19H25N3O3 — CID 94197165

IUPAC(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1C
InChIInChI=1S/C19H25N3O3/c1-12-5-8-16(10-17(12)20-13(2)23)21-18(24)15-4-3-9-22(11-15)19(25)14-6-7-14/h5,8,10,14-15H,3-4,6-7,9,11H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyQHASBGGWAYKHSI-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.54
Rot. Bonds4

About (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 94197165) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID94197165
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1C
InChIInChI=1S/C19H25N3O3/c1-12-5-8-16(10-17(12)20-13(2)23)21-18(24)15-4-3-9-22(11-15)19(25)14-6-7-14/h5,8,10,14-15H,3-4,6-7,9,11H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1
InChIKeyQHASBGGWAYKHSI-OAHLLOKOSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
4-(4-acetylpiperazine-1-carbonyl)-N-(3,4-dimethylphenyl)cyclohexane-1-carboxamide
CID 109147715
4-(azepan-1-ylmethyl)-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]piperidine-1-carboxamide
CID 47041694
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 94197165) is (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is CC(=O)Nc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)ccc1C.
What is the InChIKey of (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is QHASBGGWAYKHSI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-5-8-16(10-17(12)20-13(2)23)21-18(24)15-4-3-9-22(11-15)19(25)14-6-7-14/h5,8,10,14-15H,3-4,6-7,9,11H2,1-2H3,(H,20,23)(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
(3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetamido-4-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 94197165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).