2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide

C17H25N3O2 — CID 119775199

IUPAC2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCc1cc(NC(=O)CC(C)C2CCNCC2)ccc1C(N)=O
InChIInChI=1S/C17H25N3O2/c1-11(13-5-7-19-8-6-13)10-16(21)20-14-3-4-15(17(18)22)12(2)9-14/h3-4,9,11,13,19H,5-8,10H2,1-2H3,(H2,18,22)(H,20,21)
InChIKeyNRKVVRSXYPYPJK-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.06
Rot. Bonds5

About 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide

2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (PubChem CID 119775199) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
PubChem CID119775199
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCc1cc(NC(=O)CC(C)C2CCNCC2)ccc1C(N)=O
InChIInChI=1S/C17H25N3O2/c1-11(13-5-7-19-8-6-13)10-16(21)20-14-3-4-15(17(18)22)12(2)9-14/h3-4,9,11,13,19H,5-8,10H2,1-2H3,(H2,18,22)(H,20,21)
InChIKeyNRKVVRSXYPYPJK-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
CID 119771549
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
N-(1,3-benzodioxol-5-yl)-3-piperidin-4-ylbutanamide
CID 119668964

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The IUPAC name of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide (CID 119775199) is 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide.
What is the SMILES notation for 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The canonical SMILES for 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is Cc1cc(NC(=O)CC(C)C2CCNCC2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
The InChIKey is NRKVVRSXYPYPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11(13-5-7-19-8-6-13)10-16(21)20-14-3-4-15(17(18)22)12(2)9-14/h3-4,9,11,13,19H,5-8,10H2,1-2H3,(H2,18,22)(H,20,21).
What are the key properties of 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide?
2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide has a molecular weight of 303.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide is sourced from PubChem (CID 119775199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).