1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

C17H28Cl2N4O2 — CID 119872164

IUPAC1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N4O2.2ClH/c18-9-1-4-16(22)20-15-7-5-13(6-8-15)11-21-10-2-3-14(12-21)17(19)23;;/h5-8,14H,1-4,9-12,18H2,(H2,19,23)(H,20,22);2*1H
InChIKeyPPWVCWXYGJGCNU-UHFFFAOYSA-N
MW391.34 g/mol
LogP1.90
Rot. Bonds7

About 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride

1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119872164) has the molecular formula C17H28Cl2N4O2 and a molecular weight of 391.34 g/mol. Its IUPAC name is 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119872164
Molecular FormulaC17H28Cl2N4O2
Molecular Weight391.34 g/mol
Exact Mass390.16
IUPAC Name1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1
InChIInChI=1S/C17H26N4O2.2ClH/c18-9-1-4-16(22)20-15-7-5-13(6-8-15)11-21-10-2-3-14(12-21)17(19)23;;/h5-8,14H,1-4,9-12,18H2,(H2,19,23)(H,20,22);2*1H
InChIKeyPPWVCWXYGJGCNU-UHFFFAOYSA-N
XLogP1.90
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(3-aminopropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872163
1-[[4-[3-(2-aminophenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 120612866
1-[[4-[(2-amino-2-methylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 119872107
1-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56507529
4-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119844974
1-[[4-[3-(3-cyclopentyloxyphenyl)propanoylamino]phenyl]methyl]piperidine-3-carboxamide
CID 56509678
1-[[4-(piperidine-3-carbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119872095
1-[[4-[(2-chloro-6-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 56506760
1-[[4-[(2-amino-3-phenylpropanoyl)amino]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119872112
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789
1-[[4-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 56509542

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride (CID 119872164) is 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCCCC(=O)Nc1ccc(CN2CCCC(C(N)=O)C2)cc1.
What is the InChIKey of 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is PPWVCWXYGJGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.2ClH/c18-9-1-4-16(22)20-15-7-5-13(6-8-15)11-21-10-2-3-14(12-21)17(19)23;;/h5-8,14H,1-4,9-12,18H2,(H2,19,23)(H,20,22);2*1H.
What are the key properties of 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride?
1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 391.34 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-aminobutanoylamino)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119872164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).