(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide

C22H35N3O2 — CID 10126351

IUPAC(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C22H35N3O2/c1-5-9-19(21(23)26)20(14-16(2)3)22(27)24-12-13-25(17(4)15-24)18-10-7-6-8-11-18/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H2,23,26)/t17?,19-,20+/m0/s1
InChIKeyFAPUSHAPHQQFGF-ZYJPSCNZSA-N
MW373.54 g/mol
LogP3.29
Rot. Bonds8

About (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide

(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide (PubChem CID 10126351) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide.

Molecular Properties

Compound Name(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide
PubChem CID10126351
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide
SMILESCCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCN(c2ccccc2)C(C)C1
InChIInChI=1S/C22H35N3O2/c1-5-9-19(21(23)26)20(14-16(2)3)22(27)24-12-13-25(17(4)15-24)18-10-7-6-8-11-18/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H2,23,26)/t17?,19-,20+/m0/s1
InChIKeyFAPUSHAPHQQFGF-ZYJPSCNZSA-N
XLogP3.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-5-methyl-3-(3-methylpiperidine-1-carbonyl)-2-propylhexanamide
CID 10286267
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
(2S,3R)-3-[4-(3-methoxy-4-methylanilino)piperidine-1-carbonyl]-5-methyl-2-propylhexanamide
CID 10173266
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
2-methyl-2-[(3R)-3-methyl-4-phenylpiperazin-1-yl]butanoic acid
CID 175473745
2-[4-methyl-1-[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-1-oxopentan-2-yl]isoindole-1,3-dione
CID 110658203
(3-methyl-4-phenylpiperazin-1-yl)-(4-nitrophenyl)methanone
CID 156633610
(3R)-N-butyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 40631537
(3S)-4-(3,4-diaminophenyl)-3-methylpiperazine-1-carboxylic acid
CID 68681199

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide?
The IUPAC name of (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide (CID 10126351) is (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide.
What is the SMILES notation for (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide?
The canonical SMILES for (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide is CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N1CCN(c2ccccc2)C(C)C1.
What is the InChIKey of (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide?
The InChIKey is FAPUSHAPHQQFGF-ZYJPSCNZSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-5-9-19(21(23)26)20(14-16(2)3)22(27)24-12-13-25(17(4)15-24)18-10-7-6-8-11-18/h6-8,10-11,16-17,19-20H,5,9,12-15H2,1-4H3,(H2,23,26)/t17?,19-,20+/m0/s1.
What are the key properties of (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide?
(2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide has a molecular weight of 373.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-5-methyl-3-(3-methyl-4-phenylpiperazine-1-carbonyl)-2-propylhexanamide is sourced from PubChem (CID 10126351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).