1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride

C16H25Cl2N3O — CID 119827542

IUPAC1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H23N3O.2ClH/c17-16(8-9-16)15(20)18-14-6-10-19(11-7-14)12-13-4-2-1-3-5-13;;/h1-5,14H,6-12,17H2,(H,18,20);2*1H
InChIKeyDDJPXZMAVSKDJO-UHFFFAOYSA-N
MW346.30 g/mol
LogP2.10
Rot. Bonds4

About 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119827542) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119827542
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC Name1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C16H23N3O.2ClH/c17-16(8-9-16)15(20)18-14-6-10-19(11-7-14)12-13-4-2-1-3-5-13;;/h1-5,14H,6-12,17H2,(H,18,20);2*1H
InChIKeyDDJPXZMAVSKDJO-UHFFFAOYSA-N
XLogP2.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
1-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119899073
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883491
1-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide
CID 119883492
(1R)-N-(1-benzylpiperidin-4-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 2712549
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
4-amino-1-benzylpiperidine-4-carbohydrazide
CID 21495768
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride (CID 119827542) is 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NC2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is DDJPXZMAVSKDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c17-16(8-9-16)15(20)18-14-6-10-19(11-7-14)12-13-4-2-1-3-5-13;;/h1-5,14H,6-12,17H2,(H,18,20);2*1H.
What are the key properties of 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119827542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).