N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide

C25H36ClN5O3 — CID 166569391

IUPACN-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)NC2=O
InChIInChI=1S/C25H36ClN5O3/c1-18(27-19(2)32)23(33)31-10-7-25(8-11-31)17-21(28-24(25)34)6-9-29-12-14-30(15-13-29)22-5-3-4-20(26)16-22/h3-5,16,18,21H,6-15,17H2,1-2H3,(H,27,32)(H,28,34)/t18-,21-/m0/s1
InChIKeyHKCGMGVTIGLHRS-RXVVDRJESA-N
MW490.05 g/mol
LogP1.87
Rot. Bonds6

About N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 166569391) has the molecular formula C25H36ClN5O3 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide
PubChem CID166569391
Molecular FormulaC25H36ClN5O3
Molecular Weight490.05 g/mol
Exact Mass489.25
IUPAC NameN-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)NC2=O
InChIInChI=1S/C25H36ClN5O3/c1-18(27-19(2)32)23(33)31-10-7-25(8-11-31)17-21(28-24(25)34)6-9-29-12-14-30(15-13-29)22-5-3-4-20(26)16-22/h3-5,16,18,21H,6-15,17H2,1-2H3,(H,27,32)(H,28,34)/t18-,21-/m0/s1
InChIKeyHKCGMGVTIGLHRS-RXVVDRJESA-N
XLogP1.87
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide with MolForge

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Related Compounds

(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-8-ethyl-2,8-diazaspiro[4.5]decan-1-one
CID 167661946
tert-butyl (3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146252634
N-[4-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]oxan-4-yl]-N-methylacetamide
CID 166569443
(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166569374
tert-butyl (3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 146252540
ethyl N-[2-[(3R)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]carbamate
CID 166569463
(5R)-3,3-diethyl-5-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 148615412
N-[1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2-oxa-8-azaspiro[4.5]decane-8-carbonyl]cyclopentyl]-N-methylacetamide
CID 167327780
4-(3-chlorophenyl)-N-(1-oxo-1-thiomorpholin-4-ylpropan-2-yl)piperazine-1-carboxamide
CID 53368553
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide (CID 166569391) is N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCC2(CC1)C[C@H](CCN1CCN(c3cccc(Cl)c3)CC1)NC2=O.
What is the InChIKey of N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is HKCGMGVTIGLHRS-RXVVDRJESA-N. The full InChI is InChI=1S/C25H36ClN5O3/c1-18(27-19(2)32)23(33)31-10-7-25(8-11-31)17-21(28-24(25)34)6-9-29-12-14-30(15-13-29)22-5-3-4-20(26)16-22/h3-5,16,18,21H,6-15,17H2,1-2H3,(H,27,32)(H,28,34)/t18-,21-/m0/s1.
What are the key properties of N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 490.05 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3R)-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 166569391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).