(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

C23H38N4O — CID 124856380

IUPAC(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C2CCN(C)CC2)[C@H](C)C1
InChIInChI=1S/C23H38N4O/c1-17(2)21-8-6-7-9-22(21)24-23(28)19(4)26-14-15-27(18(3)16-26)20-10-12-25(5)13-11-20/h6-9,17-20H,10-16H2,1-5H3,(H,24,28)/t18-,19-/m1/s1
InChIKeyKARPIIIHJYUWBH-RTBURBONSA-N
MW386.58 g/mol
LogP3.24
Rot. Bonds5

About (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 124856380) has the molecular formula C23H38N4O and a molecular weight of 386.58 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID124856380
Molecular FormulaC23H38N4O
Molecular Weight386.58 g/mol
Exact Mass386.30
IUPAC Name(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C2CCN(C)CC2)[C@H](C)C1
InChIInChI=1S/C23H38N4O/c1-17(2)21-8-6-7-9-22(21)24-23(28)19(4)26-14-15-27(18(3)16-26)20-10-12-25(5)13-11-20/h6-9,17-20H,10-16H2,1-5H3,(H,24,28)/t18-,19-/m1/s1
InChIKeyKARPIIIHJYUWBH-RTBURBONSA-N
XLogP3.24
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
2-[4-(3-methylbutanoyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24664257
(2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 9249291
ethyl 4-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]piperazine-1-carboxylate
CID 9431131
N-(2-bromophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]propanamide
CID 86959364
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62942601
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide (CID 124856380) is (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCN(C2CCN(C)CC2)[C@H](C)C1.
What is the InChIKey of (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is KARPIIIHJYUWBH-RTBURBONSA-N. The full InChI is InChI=1S/C23H38N4O/c1-17(2)21-8-6-7-9-22(21)24-23(28)19(4)26-14-15-27(18(3)16-26)20-10-12-25(5)13-11-20/h6-9,17-20H,10-16H2,1-5H3,(H,24,28)/t18-,19-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 386.58 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-methyl-4-(1-methylpiperidin-4-yl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 124856380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).