N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide

C17H31N3O2 — CID 119482463

IUPACN-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCCC2CCCC2)C1
InChIInChI=1S/C17H31N3O2/c18-10-11-19-17(22)15-8-4-12-20(13-15)16(21)9-3-7-14-5-1-2-6-14/h14-15H,1-13,18H2,(H,19,22)
InChIKeyQVHAVMJEMNSDLG-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds7

About N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide (PubChem CID 119482463) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
PubChem CID119482463
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)CCCC2CCCC2)C1
InChIInChI=1S/C17H31N3O2/c18-10-11-19-17(22)15-8-4-12-20(13-15)16(21)9-3-7-14-5-1-2-6-14/h14-15H,1-13,18H2,(H,19,22)
InChIKeyQVHAVMJEMNSDLG-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119481830
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)acetyl]piperidine-3-carboxamide
CID 119482315
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
CID 24560730

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide (CID 119482463) is N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)CCCC2CCCC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide?
The InChIKey is QVHAVMJEMNSDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c18-10-11-19-17(22)15-8-4-12-20(13-15)16(21)9-3-7-14-5-1-2-6-14/h14-15H,1-13,18H2,(H,19,22).
What are the key properties of N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119482463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).