(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

C21H33N5O3 — CID 95116187

IUPAC(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC)C2)cc1
InChIInChI=1S/C21H33N5O3/c1-4-12-22-20(28)24-17-8-10-18(11-9-17)25-21(29)26-13-6-7-16(14-26)19(27)23-15(3)5-2/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,23,27)(H,25,29)(H2,22,24,28)/t15-,16+/m0/s1
InChIKeyMMFFDBYWTQEJNT-JKSUJKDBSA-N
MW403.53 g/mol
LogP3.38
Rot. Bonds7

About (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 95116187) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
PubChem CID95116187
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC Name(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
SMILESCCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC)C2)cc1
InChIInChI=1S/C21H33N5O3/c1-4-12-22-20(28)24-17-8-10-18(11-9-17)25-21(29)26-13-6-7-16(14-26)19(27)23-15(3)5-2/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,23,27)(H,25,29)(H2,22,24,28)/t15-,16+/m0/s1
InChIKeyMMFFDBYWTQEJNT-JKSUJKDBSA-N
XLogP3.38
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

(3S)-3-N-[(2S)-butan-2-yl]-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116201
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
(3R)-3-N-cyclohexyl-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900292
(3S)-3-N-[[(2S)-oxolan-2-yl]methyl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900237
(3S)-1-N-[4-[(4-methylphenyl)carbamoylamino]phenyl]-3-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 95116232
3-N-(5-methylhexan-2-yl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24659153
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559
(3R)-3-N-cyclohexyl-1-N-[4-(2-methylpropylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116293
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
4-N-[(2S)-butan-2-yl]-1-N-[4-(cyclopentylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 95116221
(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 95116259

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide (CID 95116187) is (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is CCCNC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)CC)C2)cc1.
What is the InChIKey of (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is MMFFDBYWTQEJNT-JKSUJKDBSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-4-12-22-20(28)24-17-8-10-18(11-9-17)25-21(29)26-13-6-7-16(14-26)19(27)23-15(3)5-2/h8-11,15-16H,4-7,12-14H2,1-3H3,(H,23,27)(H,25,29)(H2,22,24,28)/t15-,16+/m0/s1.
What are the key properties of (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 403.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[(2S)-butan-2-yl]-1-N-[4-(propylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95116187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).