N-butylpiperidine-4-carboxamide;hydrochloride

C10H21ClN2O — CID 50988217

IUPACN-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCNCC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-2-3-6-12-10(13)9-4-7-11-8-5-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyOZYZISQOEYRPGI-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.32
Rot. Bonds4

About N-butylpiperidine-4-carboxamide;hydrochloride

N-butylpiperidine-4-carboxamide;hydrochloride (PubChem CID 50988217) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is N-butylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-butylpiperidine-4-carboxamide;hydrochloride
PubChem CID50988217
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC NameN-butylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCNC(=O)C1CCNCC1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-2-3-6-12-10(13)9-4-7-11-8-5-9;/h9,11H,2-8H2,1H3,(H,12,13);1H
InChIKeyOZYZISQOEYRPGI-UHFFFAOYSA-N
XLogP1.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Piperidinecarboxamide
CID 3772
N,N-dimethylpiperidine-4-carboxamide hydrochloride
CID 19872414
N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
1-Ethylpiperidine-4-carboxamide
CID 567825
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
4-Methylpiperidin-2-one
CID 14146878
1-(2-(4-Piperidinyl)ethyl)-2-pyrrolidinone
CID 4712456
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
1-Acetylpiperidine-4-carboxamide
CID 18474173
4-Ethylpiperidin-2-one
CID 179570
N-methylpiperidine-4-carboxamide
CID 2760460

Frequently Asked Questions

What is the IUPAC name of N-butylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-butylpiperidine-4-carboxamide;hydrochloride (CID 50988217) is N-butylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-butylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-butylpiperidine-4-carboxamide;hydrochloride is CCCCNC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-butylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is OZYZISQOEYRPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-2-3-6-12-10(13)9-4-7-11-8-5-9;/h9,11H,2-8H2,1H3,(H,12,13);1H.
What are the key properties of N-butylpiperidine-4-carboxamide;hydrochloride?
N-butylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 50988217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).