N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide

C21H31N3O2 — CID 132970155

IUPACN-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCC(=O)NCC1CC1
InChIInChI=1S/C21H31N3O2/c1-14-8-15(2)13-24(12-14)21(26)18-7-4-16(3)19(9-18)22-11-20(25)23-10-17-5-6-17/h4,7,9,14-15,17,22H,5-6,8,10-13H2,1-3H3,(H,23,25)
InChIKeyXSWUFSUBHAAWSB-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.05
Rot. Bonds6

About N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide

N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide (PubChem CID 132970155) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
PubChem CID132970155
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide
SMILESCc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCC(=O)NCC1CC1
InChIInChI=1S/C21H31N3O2/c1-14-8-15(2)13-24(12-14)21(26)18-7-4-16(3)19(9-18)22-11-20(25)23-10-17-5-6-17/h4,7,9,14-15,17,22H,5-6,8,10-13H2,1-3H3,(H,23,25)
InChIKeyXSWUFSUBHAAWSB-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[3-[(3-hydroxy-2-methylpropyl)amino]-4-methylphenyl]methanone
CID 102553763
(3,5-dimethylpiperidin-1-yl)-[4-methyl-3-(3-methylsulfonylpropylamino)phenyl]methanone
CID 132970238
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(1H-imidazol-2-ylmethylamino)-4-methylphenyl]methanone
CID 97236628
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
(4-amino-3-methylphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 30076126
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-hydroxy-3-methoxybenzamide
CID 112846190
(3,5-dimethylpiperidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951623
N-[3-[2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55895003
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide (CID 132970155) is N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide is Cc1ccc(C(=O)N2CC(C)CC(C)C2)cc1NCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide?
The InChIKey is XSWUFSUBHAAWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-8-15(2)13-24(12-14)21(26)18-7-4-16(3)19(9-18)22-11-20(25)23-10-17-5-6-17/h4,7,9,14-15,17,22H,5-6,8,10-13H2,1-3H3,(H,23,25).
What are the key properties of N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide?
N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide has a molecular weight of 357.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylanilino]acetamide is sourced from PubChem (CID 132970155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).