2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C20H27ClN4O3 — CID 9372273

IUPAC2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)N1CCC[C@H](C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H27ClN4O3/c1-15(26)25-8-4-5-16(13-25)20(28)24-11-9-23(10-12-24)14-19(27)22-18-7-3-2-6-17(18)21/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyLQVJEJAQBIJNDA-INIZCTEOSA-N
MW406.91 g/mol
LogP1.68
Rot. Bonds4

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

2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 9372273) has the molecular formula C20H27ClN4O3 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID9372273
Molecular FormulaC20H27ClN4O3
Molecular Weight406.91 g/mol
Exact Mass406.18
IUPAC Name2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(=O)N1CCC[C@H](C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1
InChIInChI=1S/C20H27ClN4O3/c1-15(26)25-8-4-5-16(13-25)20(28)24-11-9-23(10-12-24)14-19(27)22-18-7-3-2-6-17(18)21/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,22,27)/t16-/m0/s1
InChIKeyLQVJEJAQBIJNDA-INIZCTEOSA-N
XLogP1.68
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799834
N-(2-chlorophenyl)-2-[4-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8799844
2-[4-(1-benzylpiperidine-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 55987825
2-[4-(4-tert-butylcyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 40709587
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(2-chlorophenyl)-2-[4-(2-sulfanylidene-1,3-thiazolidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 3727397
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-[4-[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 43058782
N-(2-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546007

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 9372273) is 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is CC(=O)N1CCC[C@H](C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1.
What is the InChIKey of 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is LQVJEJAQBIJNDA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27ClN4O3/c1-15(26)25-8-4-5-16(13-25)20(28)24-11-9-23(10-12-24)14-19(27)22-18-7-3-2-6-17(18)21/h2-3,6-7,16H,4-5,8-14H2,1H3,(H,22,27)/t16-/m0/s1.
What are the key properties of 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-1-acetylpiperidine-3-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 9372273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).