N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C26H29ClN4O2 — CID 30625656

IUPACN-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H29ClN4O2/c1-19(21-10-6-8-20-7-2-3-9-22(20)21)28-25(32)17-30-13-15-31(16-14-30)18-26(33)29-24-12-5-4-11-23(24)27/h2-12,19H,13-18H2,1H3,(H,28,32)(H,29,33)/t19-/m0/s1
InChIKeyIKNUENBPSWOUTL-IBGZPJMESA-N
MW465.00 g/mol
LogP3.93
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30625656) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30625656
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESC[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H29ClN4O2/c1-19(21-10-6-8-20-7-2-3-9-22(20)21)28-25(32)17-30-13-15-31(16-14-30)18-26(33)29-24-12-5-4-11-23(24)27/h2-12,19H,13-18H2,1H3,(H,28,32)(H,29,33)/t19-/m0/s1
InChIKeyIKNUENBPSWOUTL-IBGZPJMESA-N
XLogP3.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
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CID 29161450
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 41104934
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CID 24507241
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CID 2070988
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
(2R)-N-benzyl-2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 9434357
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30625656) is N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is C[C@H](NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1)c1cccc2ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is IKNUENBPSWOUTL-IBGZPJMESA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-19(21-10-6-8-20-7-2-3-9-22(20)21)28-25(32)17-30-13-15-31(16-14-30)18-26(33)29-24-12-5-4-11-23(24)27/h2-12,19H,13-18H2,1H3,(H,28,32)(H,29,33)/t19-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 465.00 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-[[(1S)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30625656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).