4-(hexylamino)piperidine-1-carboxamide

C12H25N3O — CID 43769692

IUPAC4-(hexylamino)piperidine-1-carboxamide
SMILESCCCCCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-2-3-4-5-8-14-11-6-9-15(10-7-11)12(13)16/h11,14H,2-10H2,1H3,(H2,13,16)
InChIKeyRDPIOIWZLBLSMG-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.70
Rot. Bonds6

About 4-(hexylamino)piperidine-1-carboxamide

4-(hexylamino)piperidine-1-carboxamide (PubChem CID 43769692) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(hexylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hexylamino)piperidine-1-carboxamide
PubChem CID43769692
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-(hexylamino)piperidine-1-carboxamide
SMILESCCCCCCNC1CCN(C(N)=O)CC1
InChIInChI=1S/C12H25N3O/c1-2-3-4-5-8-14-11-6-9-15(10-7-11)12(13)16/h11,14H,2-10H2,1H3,(H2,13,16)
InChIKeyRDPIOIWZLBLSMG-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(hexylamino)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(hexylamino)piperidin-1-yl]ethanone
CID 43222793
4-(5-hydroxypentylamino)piperidine-1-carboxamide
CID 107302971
4-[3-(diethylamino)propylamino]piperidine-1-carboxamide
CID 43763196
4-[(2-amino-2-oxoethyl)amino]piperidine-1-carboxamide
CID 43754739
4-[(1-acetylpiperidin-4-yl)amino]butanamide
CID 60864118
1-[4-(4-aminobutylamino)piperidin-1-yl]ethanone
CID 60894186
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
4-(2-cyclohexyloxyethylamino)piperidine-1-carboxamide
CID 63824782
N-heptyl-1-propylsulfonylpiperidin-4-amine
CID 43747983
4-(2-methylbutylamino)piperidine-1-carboxamide
CID 62692212

Frequently Asked Questions

What is the IUPAC name of 4-(hexylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(hexylamino)piperidine-1-carboxamide (CID 43769692) is 4-(hexylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(hexylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(hexylamino)piperidine-1-carboxamide is CCCCCCNC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(hexylamino)piperidine-1-carboxamide?
The InChIKey is RDPIOIWZLBLSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-3-4-5-8-14-11-6-9-15(10-7-11)12(13)16/h11,14H,2-10H2,1H3,(H2,13,16).
What are the key properties of 4-(hexylamino)piperidine-1-carboxamide?
4-(hexylamino)piperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexylamino)piperidine-1-carboxamide is sourced from PubChem (CID 43769692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).