1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride

C14H29Cl2N3O — CID 119852388

IUPAC1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1CCN(CCCCNC(=O)C2(N)CC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-12-4-10-17(11-5-12)9-3-2-8-16-13(18)14(15)6-7-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyKTIYEZNYOAZZRQ-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.95
Rot. Bonds6

About 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119852388) has the molecular formula C14H29Cl2N3O and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119852388
Molecular FormulaC14H29Cl2N3O
Molecular Weight326.31 g/mol
Exact Mass325.17
IUPAC Name1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCC1CCN(CCCCNC(=O)C2(N)CC2)CC1.Cl.Cl
InChIInChI=1S/C14H27N3O.2ClH/c1-12-4-10-17(11-5-12)9-3-2-8-16-13(18)14(15)6-7-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H
InChIKeyKTIYEZNYOAZZRQ-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 61241468
1-amino-N-[3-(azepan-1-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119831195
1-amino-N-[4-(3,5-dimethylpiperidin-1-yl)butyl]cyclopentane-1-carboxamide
CID 119852759
1-amino-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 119851085
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
3-amino-2-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]butanamide
CID 120503040
1-amino-N-[3-(azepan-1-yl)propyl]cyclohexane-1-carboxamide
CID 119831267
1-amino-N-(3-piperidin-1-ylpropyl)cyclopentane-1-carboxamide
CID 60867938
1-amino-N-(3-piperidin-1-ylpropyl)cyclobutane-1-carboxamide
CID 81179848
1-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858866
1-amino-N-(2-aminoethyl)-4-methylcyclohexane-1-carboxamide;hydrochloride
CID 130677550
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119852388) is 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride is CC1CCN(CCCCNC(=O)C2(N)CC2)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is KTIYEZNYOAZZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.2ClH/c1-12-4-10-17(11-5-12)9-3-2-8-16-13(18)14(15)6-7-14;;/h12H,2-11,15H2,1H3,(H,16,18);2*1H.
What are the key properties of 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 326.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119852388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).