2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride

C15H31Cl2N3O — CID 120557148

IUPAC2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)C(C)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-12-11-16-8-7-14(12)17-15(19)13(2)18-9-5-3-4-6-10-18;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyQHJVDCYSQBFUNA-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.21
Rot. Bonds3

About 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride

2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 120557148) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID120557148
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC Name2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)C(C)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-12-11-16-8-7-14(12)17-15(19)13(2)18-9-5-3-4-6-10-18;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H
InChIKeyQHJVDCYSQBFUNA-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-pyrrolidin-3-ylpropanamide
CID 119450526
N-(3-methylpiperidin-4-yl)cyclohexanecarboxamide;hydrochloride
CID 120557474
N-(3-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 79886370
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
2-(azepan-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120600315
2-acetamido-2-cyclopentyl-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556382
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide;hydrochloride
CID 119925326
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
N-(3-methylpiperidin-4-yl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120553440
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120556998
2-(cyclohexylmethyl)-N-(3-methylpiperidin-4-yl)butanamide
CID 120553439
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride (CID 120557148) is 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride is CC1CNCCC1NC(=O)C(C)N1CCCCCC1.Cl.Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is QHJVDCYSQBFUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c1-12-11-16-8-7-14(12)17-15(19)13(2)18-9-5-3-4-6-10-18;;/h12-14,16H,3-11H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride?
2-(azepan-1-yl)-N-(3-methylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 2.21, 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-(3-methylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120557148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).