1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride

C16H26Cl2N4O2 — CID 119870604

IUPAC1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-11(17)10-15(21)19-13-4-2-3-5-14(13)20-8-6-12(7-9-20)16(18)22;;/h2-5,11-12H,6-10,17H2,1H3,(H2,18,22)(H,19,21);2*1H
InChIKeyXTOHNNXGTFVSKK-UHFFFAOYSA-N
MW377.32 g/mol
LogP1.91
Rot. Bonds5

About 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride

1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119870604) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119870604
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC Name1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-11(17)10-15(21)19-13-4-2-3-5-14(13)20-8-6-12(7-9-20)16(18)22;;/h2-5,11-12H,6-10,17H2,1H3,(H2,18,22)(H,19,21);2*1H
InChIKeyXTOHNNXGTFVSKK-UHFFFAOYSA-N
XLogP1.91
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
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5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide;dihydrochloride
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CID 56566760
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
1-[2-[(3-aminocyclohexanecarbonyl)amino]phenyl]piperidine-4-carboxamide
CID 119870587
1-[2-[2-(4-nitrophenyl)sulfanylpropanoylamino]phenyl]piperidine-4-carboxamide
CID 47089818
3-amino-N-(2-pyrazol-1-ylphenyl)butanamide
CID 60837811
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
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3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
CID 75401430

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119870604) is 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride is CC(N)CC(=O)Nc1ccccc1N1CCC(C(N)=O)CC1.Cl.Cl.
What is the InChIKey of 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is XTOHNNXGTFVSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.2ClH/c1-11(17)10-15(21)19-13-4-2-3-5-14(13)20-8-6-12(7-9-20)16(18)22;;/h2-5,11-12H,6-10,17H2,1H3,(H2,18,22)(H,19,21);2*1H.
What are the key properties of 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride?
1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminobutanoylamino)phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119870604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).