2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide

C15H29N3O — CID 120600315

IUPAC2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)C(C)N2CCCCCC2)CCN1
InChIInChI=1S/C15H29N3O/c1-12-11-14(7-8-16-12)17-15(19)13(2)18-9-5-3-4-6-10-18/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyUFMAFILBRYWXNT-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide

2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120600315) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120600315
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCC1CC(NC(=O)C(C)N2CCCCCC2)CCN1
InChIInChI=1S/C15H29N3O/c1-12-11-14(7-8-16-12)17-15(19)13(2)18-9-5-3-4-6-10-18/h12-14,16H,3-11H2,1-2H3,(H,17,19)
InChIKeyUFMAFILBRYWXNT-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120599103
2-methoxy-N-(2-methylpiperidin-4-yl)propanamide
CID 106995606
1-(2-methylpiperidin-4-yl)-3-propan-2-ylurea
CID 106995611
2-cycloheptyloxy-N-(2-methylpiperidin-4-yl)propanamide
CID 120601910
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120557148
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
N-cyclopentyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115745
N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide (CID 120600315) is 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide is CC1CC(NC(=O)C(C)N2CCCCCC2)CCN1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is UFMAFILBRYWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-11-14(7-8-16-12)17-15(19)13(2)18-9-5-3-4-6-10-18/h12-14,16H,3-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide?
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120600315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).