N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide

C15H29N3O2S — CID 119480340

IUPACN-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
SMILESCCCCSC(C)C(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H29N3O2S/c1-3-4-10-21-12(2)15(20)18-9-5-6-13(11-18)14(19)17-8-7-16/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyPEVYPVQFZXHJIT-UHFFFAOYSA-N
MW315.48 g/mol
LogP1.22
Rot. Bonds8

About N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide (PubChem CID 119480340) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
PubChem CID119480340
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC NameN-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
SMILESCCCCSC(C)C(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H29N3O2S/c1-3-4-10-21-12(2)15(20)18-9-5-6-13(11-18)14(19)17-8-7-16/h12-13H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyPEVYPVQFZXHJIT-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 134037918
(3S)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 119173766
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
(3R)-N-ethyl-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxamide
CID 95318260
N-(2-aminoethyl)-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479394
N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 119479640
2-[2-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242528
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
N-(2-aminoethyl)-1-[2-(4-butylphenyl)acetyl]piperidine-3-carboxamide
CID 119482159
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide (CID 119480340) is N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide is CCCCSC(C)C(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide?
The InChIKey is PEVYPVQFZXHJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-3-4-10-21-12(2)15(20)18-9-5-6-13(11-18)14(19)17-8-7-16/h12-13H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide has a molecular weight of 315.48 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).