N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide

C24H30ClN5O3 — CID 31333498

IUPACN-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H30ClN5O3/c1-17(2)27-24(33)26-15-18-7-9-19(10-8-18)23(32)30-13-11-29(12-14-30)16-22(31)28-21-6-4-3-5-20(21)25/h3-10,17H,11-16H2,1-2H3,(H,28,31)(H2,26,27,33)
InChIKeyRVBNEQYNZOARGN-UHFFFAOYSA-N
MW471.99 g/mol
LogP2.94
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide (PubChem CID 31333498) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide
PubChem CID31333498
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC NameN-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)NCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C24H30ClN5O3/c1-17(2)27-24(33)26-15-18-7-9-19(10-8-18)23(32)30-13-11-29(12-14-30)16-22(31)28-21-6-4-3-5-20(21)25/h3-10,17H,11-16H2,1-2H3,(H,28,31)(H2,26,27,33)
InChIKeyRVBNEQYNZOARGN-UHFFFAOYSA-N
XLogP2.94
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
CID 31364987
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CID 9162618
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-methylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35204540
N-(2-chlorophenyl)-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860881
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30625656
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9020752
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide (CID 31333498) is N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide is CC(C)NC(=O)NCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide?
The InChIKey is RVBNEQYNZOARGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-17(2)27-24(33)26-15-18-7-9-19(10-8-18)23(32)30-13-11-29(12-14-30)16-22(31)28-21-6-4-3-5-20(21)25/h3-10,17H,11-16H2,1-2H3,(H,28,31)(H2,26,27,33).
What are the key properties of N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide has a molecular weight of 471.99 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 31333498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).