4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride

C16H27Cl2N3O — CID 119827625

IUPAC4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H25N3O.2ClH/c17-10-4-7-16(20)18-15-8-11-19(12-9-15)13-14-5-2-1-3-6-14;;/h1-3,5-6,15H,4,7-13,17H2,(H,18,20);2*1H
InChIKeyATWHSMDPQGILTN-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.35
Rot. Bonds6

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

4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride (PubChem CID 119827625) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
PubChem CID119827625
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H25N3O.2ClH/c17-10-4-7-16(20)18-15-8-11-19(12-9-15)13-14-5-2-1-3-6-14;;/h1-3,5-6,15H,4,7-13,17H2,(H,18,20);2*1H
InChIKeyATWHSMDPQGILTN-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]butanamide;dihydrochloride
CID 119899114
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
7-amino-N-[1-[(4-bromophenyl)methyl]piperidin-4-yl]heptanamide
CID 119899075
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide;hydrochloride
CID 119330437
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-[4-[(1-benzylpiperidin-4-yl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27673315
4-amino-N-(1-benzylsulfonylpiperidin-4-yl)butanamide
CID 119330438
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-4-yl)-5-(dithiolan-3-yl)pentanamide
CID 71755098

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride (CID 119827625) is 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride?
The InChIKey is ATWHSMDPQGILTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c17-10-4-7-16(20)18-15-8-11-19(12-9-15)13-14-5-2-1-3-6-14;;/h1-3,5-6,15H,4,7-13,17H2,(H,18,20);2*1H.
What are the key properties of 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride?
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride is sourced from PubChem (CID 119827625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).