N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride

C13H26ClN3O2 — CID 119407805

IUPACN-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)NCCCN)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-5-12(17)16-9-3-6-11(10-16)13(18)15-8-4-7-14;/h11H,2-10,14H2,1H3,(H,15,18);1H
InChIKeyMTCMLFWMHOJCCW-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.91
Rot. Bonds6

About N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride

N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119407805) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
PubChem CID119407805
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC NameN-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)NCCCN)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-2-5-12(17)16-9-3-6-11(10-16)13(18)15-8-4-7-14;/h11H,2-10,14H2,1H3,(H,15,18);1H
InChIKeyMTCMLFWMHOJCCW-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.91
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

1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
2-[2-[(1-butanoylpiperidine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242681
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(5-aminopentyl)-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967018
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381
(2S)-2-[(1-butanoylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614310

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride (CID 119407805) is N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride is CCCC(=O)N1CCCC(C(=O)NCCCN)C1.Cl.
What is the InChIKey of N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is MTCMLFWMHOJCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-2-5-12(17)16-9-3-6-11(10-16)13(18)15-8-4-7-14;/h11H,2-10,14H2,1H3,(H,15,18);1H.
What are the key properties of N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride?
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119407805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).