N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

C19H29N3O2 — CID 71840458

IUPACN-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(CNC(=O)C(C)C)C2)cc1C
InChIInChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-6-5-9-22(12-16)19(24)21-17-8-7-14(3)15(4)10-17/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKDGPZFLXSINDNX-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.32
Rot. Bonds4

About N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide

N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840458) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840458
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(CNC(=O)C(C)C)C2)cc1C
InChIInChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-6-5-9-22(12-16)19(24)21-17-8-7-14(3)15(4)10-17/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyKDGPZFLXSINDNX-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119183250
N-(4-acetamido-3-methylphenyl)-3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carboxamide
CID 166402158
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95297629
2-methyl-N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propanamide
CID 119397639
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide
CID 167939376

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide (CID 71840458) is N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(CNC(=O)C(C)C)C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is KDGPZFLXSINDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)18(23)20-11-16-6-5-9-22(12-16)19(24)21-17-8-7-14(3)15(4)10-17/h7-8,10,13,16H,5-6,9,11-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-[(2-methylpropanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).