4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C19H29N3O2 — CID 94858106

IUPAC4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-5-14(2)15-6-8-17(9-7-15)20-18(23)16-10-12-22(13-11-16)19(24)21(3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyROYUSBGOUFYVGQ-CQSZACIVSA-N
MW331.46 g/mol
LogP3.53
Rot. Bonds4

About 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 94858106) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID94858106
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-5-14(2)15-6-8-17(9-7-15)20-18(23)16-10-12-22(13-11-16)19(24)21(3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H,20,23)/t14-/m1/s1
InChIKeyROYUSBGOUFYVGQ-CQSZACIVSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-N,1-N-dimethyl-4-N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]piperidine-1,4-dicarboxamide
CID 60614939
N-(4-butan-2-ylphenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 17223318
N-[4-[(2S)-butan-2-yl]phenyl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 7435408
ethyl 4-[(4-propan-2-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 26288905
4-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56923353
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646908
(3S)-N-[4-[(2S)-butan-2-yl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400508
1-(2-cyclopropylacetyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 51000910
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 94858106) is 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CC[C@@H](C)c1ccc(NC(=O)C2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is ROYUSBGOUFYVGQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-14(2)15-6-8-17(9-7-15)20-18(23)16-10-12-22(13-11-16)19(24)21(3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H,20,23)/t14-/m1/s1.
What are the key properties of 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2R)-butan-2-yl]phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 94858106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).