1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide

C21H33N3O2 — CID 25469814

IUPAC1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
SMILESCC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1
InChIInChI=1S/C21H33N3O2/c1-5-15(4)16-6-8-17(9-7-16)19(14(2)3)23-21(26)24-12-10-18(11-13-24)20(22)25/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H2,22,25)(H,23,26)/t15-,19+/m0/s1
InChIKeyJOVOBRVNOSOZFS-HNAYVOBHSA-N
MW359.51 g/mol
LogP3.80
Rot. Bonds6

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

1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide (PubChem CID 25469814) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
PubChem CID25469814
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
SMILESCC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1
InChIInChI=1S/C21H33N3O2/c1-5-15(4)16-6-8-17(9-7-16)19(14(2)3)23-21(26)24-12-10-18(11-13-24)20(22)25/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H2,22,25)(H,23,26)/t15-,19+/m0/s1
InChIKeyJOVOBRVNOSOZFS-HNAYVOBHSA-N
XLogP3.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[[2-methyl-1-(4-propylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000188
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46419931
1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 56808444
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
1-N-[1-(4-methylphenoxy)propan-2-yl]piperidine-1,4-dicarboxamide
CID 51096030
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 112834754
4-benzamido-N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]piperidine-1-carboxamide
CID 41200367
1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide (CID 25469814) is 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide is CC[C@H](C)c1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C(C)C)cc1.
What is the InChIKey of 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide?
The InChIKey is JOVOBRVNOSOZFS-HNAYVOBHSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-5-15(4)16-6-8-17(9-7-16)19(14(2)3)23-21(26)24-12-10-18(11-13-24)20(22)25/h6-9,14-15,18-19H,5,10-13H2,1-4H3,(H2,22,25)(H,23,26)/t15-,19+/m0/s1.
What are the key properties of 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide?
1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 25469814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).