4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide

C17H33N3O — CID 114428726

IUPAC4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCC(C(C)C)N2CCCC2)C1
InChIInChI=1S/C17H33N3O/c1-4-14-7-8-18-15(11-14)17(21)19-12-16(13(2)3)20-9-5-6-10-20/h13-16,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyKYMZALOMSMZFSM-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.00
Rot. Bonds6

About 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide

4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide (PubChem CID 114428726) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
PubChem CID114428726
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)NCC(C(C)C)N2CCCC2)C1
InChIInChI=1S/C17H33N3O/c1-4-14-7-8-18-15(11-14)17(21)19-12-16(13(2)3)20-9-5-6-10-20/h13-16,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyKYMZALOMSMZFSM-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pyrrolidine-2-carboxamide
CID 61273549
4-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-2-carboxamide
CID 114428586
4-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114429484
4-ethyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114428071
4-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-2-carboxamide
CID 114428064
4-ethyl-N-(3-ethyl-2-hydroxypentyl)piperidine-2-carboxamide
CID 106286595
4-ethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 114428936
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
4-ethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide
CID 114428843
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
N-[2-(dimethylamino)-3-ethylpentyl]-4-ethylpiperidine-2-carboxamide
CID 114428728
4-ethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 114429304

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide (CID 114428726) is 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide is CCC1CCNC(C(=O)NCC(C(C)C)N2CCCC2)C1.
What is the InChIKey of 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide?
The InChIKey is KYMZALOMSMZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-14-7-8-18-15(11-14)17(21)19-12-16(13(2)3)20-9-5-6-10-20/h13-16,18H,4-12H2,1-3H3,(H,19,21).
What are the key properties of 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide?
4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-2-carboxamide is sourced from PubChem (CID 114428726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).