(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide

C25H34N4O2 — CID 9275115

IUPAC(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
SMILESC[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-19(23(30)26-24(31)27-25(2,3)4)28-15-17-29(18-16-28)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3,(H2,26,27,30,31)/t19-/m0/s1
InChIKeyKQTSNSZGFANXMV-IBGZPJMESA-N
MW422.57 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide

(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide (PubChem CID 9275115) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
PubChem CID9275115
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
SMILESC[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H34N4O2/c1-19(23(30)26-24(31)27-25(2,3)4)28-15-17-29(18-16-28)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3,(H2,26,27,30,31)/t19-/m0/s1
InChIKeyKQTSNSZGFANXMV-IBGZPJMESA-N
XLogP3.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(2-methylpropyl)propanamide
CID 9275099
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563161
N-(tert-butylcarbamoyl)-2-[4-(3-nitrophenyl)piperazin-1-yl]propanamide
CID 55842863
4-[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 97246729
2-(4-benzoylpiperidin-1-yl)-N-tert-butylpropanamide
CID 18144798
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
N-(4-benzhydrylpiperazine-1-carbothioyl)-2-methylpropanamide
CID 4945739
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
(2S)-N-(methylcarbamoyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]propanamide
CID 52504142
(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide (CID 9275115) is (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide is C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide?
The InChIKey is KQTSNSZGFANXMV-IBGZPJMESA-N. The full InChI is InChI=1S/C25H34N4O2/c1-19(23(30)26-24(31)27-25(2,3)4)28-15-17-29(18-16-28)22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3,(H2,26,27,30,31)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide?
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide is sourced from PubChem (CID 9275115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).