N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide

C13H23N3O2 — CID 55247011

IUPACN-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCC(=O)NC2)CCNC1
InChIInChI=1S/C13H23N3O2/c1-2-5-13(6-7-14-9-13)12(18)16-10-3-4-11(17)15-8-10/h10,14H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyZKTXLLUJZJRBJO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.16
Rot. Bonds4

About N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide

N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 55247011) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID55247011
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCC(=O)NC2)CCNC1
InChIInChI=1S/C13H23N3O2/c1-2-5-13(6-7-14-9-13)12(18)16-10-3-4-11(17)15-8-10/h10,14H,2-9H2,1H3,(H,15,17)(H,16,18)
InChIKeyZKTXLLUJZJRBJO-UHFFFAOYSA-N
XLogP0.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
1-methyl-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 78953464
N-(2-oxoazepan-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55164946
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418
1-amino-N-(6-oxopiperidin-3-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119307576
N-[2-(hydroxymethyl)cyclohexyl]-3-propylpyrrolidine-3-carboxamide
CID 106361369
N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119428022
1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea
CID 78917410
3-propyl-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 63140425
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693

Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide (CID 55247011) is N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC2CCC(=O)NC2)CCNC1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is ZKTXLLUJZJRBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-5-13(6-7-14-9-13)12(18)16-10-3-4-11(17)15-8-10/h10,14H,2-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide?
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55247011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).