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

C23H35N5O3 — CID 95116221

IUPAC4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C23H35N5O3/c1-3-16(2)24-21(29)17-12-14-28(15-13-17)23(31)27-20-10-8-19(9-11-20)26-22(30)25-18-6-4-5-7-18/h8-11,16-18H,3-7,12-15H2,1-2H3,(H,24,29)(H,27,31)(H2,25,26,30)/t16-/m0/s1
InChIKeyJJPUKCOSLWGPSK-INIZCTEOSA-N
MW429.57 g/mol
LogP3.91
Rot. Bonds6

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

4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (PubChem CID 95116221) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
PubChem CID95116221
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1
InChIInChI=1S/C23H35N5O3/c1-3-16(2)24-21(29)17-12-14-28(15-13-17)23(31)27-20-10-8-19(9-11-20)26-22(30)25-18-6-4-5-7-18/h8-11,16-18H,3-7,12-15H2,1-2H3,(H,24,29)(H,27,31)(H2,25,26,30)/t16-/m0/s1
InChIKeyJJPUKCOSLWGPSK-INIZCTEOSA-N
XLogP3.91
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845870
(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116187
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122077567
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
1-[4-(butan-2-ylamino)phenyl]-3-cyclopropylurea
CID 112980511
4-(cyclohexanecarbonylamino)-N-[4-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 119049838
(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116293
4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide (CID 95116221) is 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is CC[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)NC3CCCC3)cc2)CC1.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is JJPUKCOSLWGPSK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-3-16(2)24-21(29)17-12-14-28(15-13-17)23(31)27-20-10-8-19(9-11-20)26-22(30)25-18-6-4-5-7-18/h8-11,16-18H,3-7,12-15H2,1-2H3,(H,24,29)(H,27,31)(H2,25,26,30)/t16-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide?
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.91, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 95116221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).