(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide

C21H30N4O3 — CID 51933994

IUPAC(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4O3/c1-21(2,17-8-4-3-5-9-17)19(27)24-13-11-23(12-14-24)18(26)16-7-6-10-25(15-16)20(22)28/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H2,22,28)/t16-/m1/s1
InChIKeyPKGBCRGMGDXASW-MRXNPFEDSA-N
MW386.50 g/mol
LogP1.43
Rot. Bonds3

About (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide

(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 51933994) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID51933994
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1)c1ccccc1
InChIInChI=1S/C21H30N4O3/c1-21(2,17-8-4-3-5-9-17)19(27)24-13-11-23(12-14-24)18(26)16-7-6-10-25(15-16)20(22)28/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H2,22,28)/t16-/m1/s1
InChIKeyPKGBCRGMGDXASW-MRXNPFEDSA-N
XLogP1.43
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110346395
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
CID 136522919
2-methyl-2-(4-methylphenyl)-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110244181
2-(4-fluorophenyl)-2-methyl-1-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 110246474
2-(4-fluorophenyl)-2-methyl-1-[(3R)-3-(piperidine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 92633437
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
(3S)-3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97117244
(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
CID 52525158
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
1-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 47988393
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide (CID 51933994) is (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide is CC(C)(C(=O)N1CCN(C(=O)[C@@H]2CCCN(C(N)=O)C2)CC1)c1ccccc1.
What is the InChIKey of (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is PKGBCRGMGDXASW-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-21(2,17-8-4-3-5-9-17)19(27)24-13-11-23(12-14-24)18(26)16-7-6-10-25(15-16)20(22)28/h3-5,8-9,16H,6-7,10-15H2,1-2H3,(H2,22,28)/t16-/m1/s1.
What are the key properties of (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 51933994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).