(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C22H27ClN4O2 — CID 9434357

IUPAC(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN4O2/c1-17(22(29)24-15-18-7-3-2-4-8-18)27-13-11-26(12-14-27)16-21(28)25-20-10-6-5-9-19(20)23/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,28)/t17-/m1/s1
InChIKeyIKDVNOMGCYPWQJ-QGZVFWFLSA-N
MW414.94 g/mol
LogP2.60
Rot. Bonds7

About (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide

(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 9434357) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID9434357
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN4O2/c1-17(22(29)24-15-18-7-3-2-4-8-18)27-13-11-26(12-14-27)16-21(28)25-20-10-6-5-9-19(20)23/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,28)/t17-/m1/s1
InChIKeyIKDVNOMGCYPWQJ-QGZVFWFLSA-N
XLogP2.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-ethyl-N-phenylpropanamide
CID 8799927
(2S)-2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 30637178
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9434415
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
(2R)-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-cyclohexyl-N-ethylpropanamide
CID 29162340
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627238
N-benzyl-2-[4-[2-(2,5-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29487883
N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide
CID 31333498
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 9434357) is (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide is C[C@H](C(=O)NCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is IKDVNOMGCYPWQJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-17(22(29)24-15-18-7-3-2-4-8-18)27-13-11-26(12-14-27)16-21(28)25-20-10-6-5-9-19(20)23/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,28)/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 414.94 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9434357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).