N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C19H27ClN4O2 — CID 42199365

IUPACN-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C19H27ClN4O2/c1-15(25)21-13-19(26)24-7-3-6-18(14-24)23-10-8-22(9-11-23)17-5-2-4-16(20)12-17/h2,4-5,12,18H,3,6-11,13-14H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyZSJLHCDILBMKRA-SFHVURJKSA-N
MW378.90 g/mol
LogP1.59
Rot. Bonds4

About N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 42199365) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID42199365
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C19H27ClN4O2/c1-15(25)21-13-19(26)24-7-3-6-18(14-24)23-10-8-22(9-11-23)17-5-2-4-16(20)12-17/h2,4-5,12,18H,3,6-11,13-14H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyZSJLHCDILBMKRA-SFHVURJKSA-N
XLogP1.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
(1-aminocyclopropyl)-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 95719083
[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
CID 45228263
(3-chloro-4-fluorophenyl)-[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45231780
2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 154892703
[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 25288378
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one
CID 25289401
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
N-[2-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 70313533

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 42199365) is N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is ZSJLHCDILBMKRA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27ClN4O2/c1-15(25)21-13-19(26)24-7-3-6-18(14-24)23-10-8-22(9-11-23)17-5-2-4-16(20)12-17/h2,4-5,12,18H,3,6-11,13-14H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 378.90 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 42199365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).