4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide

C27H38N4O2 — CID 133269505

IUPAC4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
SMILESCCCNC(=O)[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)CC
InChIInChI=1S/C27H38N4O2/c1-4-16-28-26(32)24(21(3)5-2)29-27(33)31-19-17-30(18-20-31)25(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24-25H,4-5,16-20H2,1-3H3,(H,28,32)(H,29,33)/t21?,24-/m1/s1
InChIKeyHQTKJGYITDVCFF-MQNHUJCZSA-N
MW450.63 g/mol
LogP4.04
Rot. Bonds9

About 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide

4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide (PubChem CID 133269505) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
PubChem CID133269505
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide
SMILESCCCNC(=O)[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)CC
InChIInChI=1S/C27H38N4O2/c1-4-16-28-26(32)24(21(3)5-2)29-27(33)31-19-17-30(18-20-31)25(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24-25H,4-5,16-20H2,1-3H3,(H,28,32)(H,29,33)/t21?,24-/m1/s1
InChIKeyHQTKJGYITDVCFF-MQNHUJCZSA-N
XLogP4.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
1-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-ethylurea
CID 42697437
ethyl N-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648114
N-[(2S)-1-(2-fluoroanilino)-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
CID 56786314
4-benzhydryl-N-[(2S)-butan-2-yl]piperazine-1-carbothioamide
CID 7130379
4-benzhydryl-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 46100871
methyl (2S,3S)-2-[(4-benzhydrylpiperazin-4-ium-1-carbonyl)amino]-3-methylpentanoate
CID 7646734
N-[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 23388414
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
4-benzhydryl-N-(3-hydroxy-2-oxopropyl)piperazine-1-carboxamide
CID 167594860
4-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide (CID 133269505) is 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide is CCCNC(=O)[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(C)CC.
What is the InChIKey of 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide?
The InChIKey is HQTKJGYITDVCFF-MQNHUJCZSA-N. The full InChI is InChI=1S/C27H38N4O2/c1-4-16-28-26(32)24(21(3)5-2)29-27(33)31-19-17-30(18-20-31)25(22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,21,24-25H,4-5,16-20H2,1-3H3,(H,28,32)(H,29,33)/t21?,24-/m1/s1.
What are the key properties of 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide?
4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide has a molecular weight of 450.63 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-[(2R)-3-methyl-1-oxo-1-(propylamino)pentan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 133269505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).