N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

C21H30N4O2 — CID 128792373

IUPACN-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCC(NC(=O)N1CCCC2(CCNC2)C1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H30N4O2/c1-16(17-5-2-6-18(13-17)25-12-3-7-19(25)26)23-20(27)24-11-4-8-21(15-24)9-10-22-14-21/h2,5-6,13,16,22H,3-4,7-12,14-15H2,1H3,(H,23,27)
InChIKeyKCZJPLGHGLYJMV-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.66
Rot. Bonds3

About N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide

N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (PubChem CID 128792373) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
PubChem CID128792373
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
SMILESCC(NC(=O)N1CCCC2(CCNC2)C1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H30N4O2/c1-16(17-5-2-6-18(13-17)25-12-3-7-19(25)26)23-20(27)24-11-4-8-21(15-24)9-10-22-14-21/h2,5-6,13,16,22H,3-4,7-12,14-15H2,1H3,(H,23,27)
InChIKeyKCZJPLGHGLYJMV-UHFFFAOYSA-N
XLogP2.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755966
2-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119307539
3-amino-2-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119755987
2-amino-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2-phenylacetamide
CID 119307558
2-methyl-3-(methylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119756000
(2S)-N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]oxolane-2-carboxamide
CID 95242893
2-(cyclopropylmethylamino)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]acetamide
CID 119755997
(2S)-2-amino-4-methyl-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]pentanamide;hydrochloride
CID 119756026
N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119307536
3-(2-aminophenyl)-N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]propanamide
CID 120609962
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-N'-(1-phenylethyl)oxamide
CID 121052835
N-[1-(4-tert-butylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132654676

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The IUPAC name of N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide (CID 128792373) is N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is CC(NC(=O)N1CCCC2(CCNC2)C1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
The InChIKey is KCZJPLGHGLYJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(17-5-2-6-18(13-17)25-12-3-7-19(25)26)23-20(27)24-11-4-8-21(15-24)9-10-22-14-21/h2,5-6,13,16,22H,3-4,7-12,14-15H2,1H3,(H,23,27).
What are the key properties of N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide?
N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-2,7-diazaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 128792373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).