(2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one

C21H30ClN3O2 — CID 93144745

IUPAC(2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCC[C@@H](C)N1C(=O)[C@@H](C(C)C)NC12CCN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C21H30ClN3O2/c1-5-15(4)25-20(27)18(14(2)3)23-21(25)10-12-24(13-11-21)19(26)16-6-8-17(22)9-7-16/h6-9,14-15,18,23H,5,10-13H2,1-4H3/t15-,18-/m1/s1
InChIKeyODHUZHFMMOWRFE-CRAIPNDOSA-N
MW391.94 g/mol
LogP3.53
Rot. Bonds4

About (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one

(2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 93144745) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID93144745
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name(2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCC[C@@H](C)N1C(=O)[C@@H](C(C)C)NC12CCN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C21H30ClN3O2/c1-5-15(4)25-20(27)18(14(2)3)23-21(25)10-12-24(13-11-21)19(26)16-6-8-17(22)9-7-16/h6-9,14-15,18,23H,5,10-13H2,1-4H3/t15-,18-/m1/s1
InChIKeyODHUZHFMMOWRFE-CRAIPNDOSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

4-butyl-3-oxo-2-propan-2-yl-1,4,8-triazaspiro[4.5]decane-8-carbothioic S-acid;1,4-dichlorobenzene
CID 157375553
(2R)-4-(1-benzylpiperidin-4-yl)-2-[(2R)-butan-2-yl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93146100
(2S)-2,4-dibenzyl-8-(4-chlorobenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165685
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
(7S,9aR)-2-(4-chlorobenzoyl)-7-propan-2-yl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56858518
(3aS,6aR)-1'-(4-chlorobenzoyl)-5-ethyl-2-(2-methylpropyl)spiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 98776561
4-benzyl-8-(2-chloropyridine-3-carbonyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 87293769
(2S)-8-(4-methoxybenzoyl)-2-methyl-4-[(2S)-2-methylbutyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145633
(2S)-2-benzyl-8-(4-chlorobenzoyl)-4-[(4-fluorophenyl)methyl]-1,4,8-triazaspiro[4.5]decan-3-one
CID 67165898
3-[[8-(3,4-dimethoxybenzoyl)-3-oxo-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-4-yl]methyl]benzonitrile
CID 67165895
(3aS,6aR)-2-acetyl-1'-(4-chlorobenzoyl)-5-ethylspiro[1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,4'-piperidine]-6-one
CID 97439206
8-[2-chloro-5-(trifluoromethyl)benzoyl]-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 67164245

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one (CID 93144745) is (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one is CC[C@@H](C)N1C(=O)[C@@H](C(C)C)NC12CCN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is ODHUZHFMMOWRFE-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-5-15(4)25-20(27)18(14(2)3)23-21(25)10-12-24(13-11-21)19(26)16-6-8-17(22)9-7-16/h6-9,14-15,18,23H,5,10-13H2,1-4H3/t15-,18-/m1/s1.
What are the key properties of (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one?
(2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 391.94 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R)-butan-2-yl]-8-(4-chlorobenzoyl)-2-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 93144745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).