3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide

C12H25N3O — CID 63766173

IUPAC3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(CCN)C1
InChIInChI=1S/C12H25N3O/c1-2-3-8-14-12(16)15-9-4-5-11(10-15)6-7-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeySHSSJGJYDPUCGP-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.56
Rot. Bonds5

About 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide

3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide (PubChem CID 63766173) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
PubChem CID63766173
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(CCN)C1
InChIInChI=1S/C12H25N3O/c1-2-3-8-14-12(16)15-9-4-5-11(10-15)6-7-13/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeySHSSJGJYDPUCGP-UHFFFAOYSA-N
XLogP1.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.56
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

2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
3-[1-(propylcarbamoyl)piperidin-3-yl]propanoic acid
CID 55135166
3-(aminomethyl)-N-ethylazepane-1-carboxamide
CID 126983283
N-butyl-3-(2-hydroxyethyl)piperidine-1-carbothioamide
CID 107227314
(3R)-3-ethyl-N-(2-sulfanylethyl)piperidine-1-carboxamide
CID 143486954
2-[1-(ethylcarbamoyl)piperidin-3-yl]ethyl carbamate
CID 166107612
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886147
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
1-[3-(2-aminoethyl)piperidin-1-yl]but-2-en-1-one
CID 77015507

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide (CID 63766173) is 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide is CCCCNC(=O)N1CCCC(CCN)C1.
What is the InChIKey of 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide?
The InChIKey is SHSSJGJYDPUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-3-8-14-12(16)15-9-4-5-11(10-15)6-7-13/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide?
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide is sourced from PubChem (CID 63766173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).