6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one

C18H29N3O — CID 75237895

IUPAC6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one
SMILESNCCCCC(NCc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H29N3O/c19-12-6-5-11-17(18(22)21-13-7-2-8-14-21)20-15-16-9-3-1-4-10-16/h1,3-4,9-10,17,20H,2,5-8,11-15,19H2
InChIKeyHWRZPCQOHSAEAR-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.29
Rot. Bonds8

About 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one

6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one (PubChem CID 75237895) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one.

Molecular Properties

Compound Name6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one
PubChem CID75237895
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one
SMILESNCCCCC(NCc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C18H29N3O/c19-12-6-5-11-17(18(22)21-13-7-2-8-14-21)20-15-16-9-3-1-4-10-16/h1,3-4,9-10,17,20H,2,5-8,11-15,19H2
InChIKeyHWRZPCQOHSAEAR-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.29
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

[(3R)-1-[(2S)-6-amino-2-(benzylamino)hexanoyl]piperidin-3-yl] formate
CID 174615275
acetyl chloride;6-amino-2-(benzylamino)hexanoic acid
CID 174530282
(2S)-2-[(4-methoxyphenyl)methylamino]-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 770236
(2S)-6-amino-2-(benzylamino)-N-decylhexanamide
CID 134231394
(2R)-1-[6-amino-2-[(4-chlorophenyl)methylamino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 174671257
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
6-amino-2-[(2-hydroxyphenyl)methylamino]hexanoic acid
CID 85204947
N-benzylazonane-1-carboxamide
CID 130689649
(2S)-2-(3-aminopropylamino)-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;dihydrochloride
CID 66546560
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
(2S)-2-(benzylamino)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-1-one
CID 67385330

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one?
The IUPAC name of 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one (CID 75237895) is 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one.
What is the SMILES notation for 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one?
The canonical SMILES for 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one is NCCCCC(NCc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one?
The InChIKey is HWRZPCQOHSAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c19-12-6-5-11-17(18(22)21-13-7-2-8-14-21)20-15-16-9-3-1-4-10-16/h1,3-4,9-10,17,20H,2,5-8,11-15,19H2.
What are the key properties of 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one?
6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one has a molecular weight of 303.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(benzylamino)-1-piperidin-1-ylhexan-1-one is sourced from PubChem (CID 75237895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).