N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide

C18H27N3O2 — CID 119288350

IUPACN-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCCCC(N)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C18H27N3O2/c1-3-6-16(19)18(23)21-11-9-14(10-12-21)20-17(22)15-8-5-4-7-13(15)2/h4-5,7-8,14,16H,3,6,9-12,19H2,1-2H3,(H,20,22)
InChIKeySQDXBVJPPWVRFX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.84
Rot. Bonds5

About N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide

N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide (PubChem CID 119288350) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
PubChem CID119288350
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide
SMILESCCCC(N)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C18H27N3O2/c1-3-6-16(19)18(23)21-11-9-14(10-12-21)20-17(22)15-8-5-4-7-13(15)2/h4-5,7-8,14,16H,3,6,9-12,19H2,1-2H3,(H,20,22)
InChIKeySQDXBVJPPWVRFX-UHFFFAOYSA-N
XLogP1.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 120985992
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721489
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
2-methyl-N-[1-(2-methylpropylcarbamothioyl)piperidin-4-yl]benzamide
CID 3218532
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide (CID 119288350) is N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide is CCCC(N)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1.
What is the InChIKey of N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide?
The InChIKey is SQDXBVJPPWVRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-6-16(19)18(23)21-11-9-14(10-12-21)20-17(22)15-8-5-4-7-13(15)2/h4-5,7-8,14,16H,3,6,9-12,19H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide?
N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminopentanoyl)piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 119288350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).