3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide

C19H32N4O — CID 24872359

IUPAC3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
SMILESCc1ccnn1CCC(=O)N[C@@H]1CCCC[C@H]1CN1CCCCC1
InChIInChI=1S/C19H32N4O/c1-16-9-11-20-23(16)14-10-19(24)21-18-8-4-3-7-17(18)15-22-12-5-2-6-13-22/h9,11,17-18H,2-8,10,12-15H2,1H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyZKLCIOVVTDSSNR-ZWKOTPCHSA-N
MW332.49 g/mol
LogP2.74
Rot. Bonds6

About 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide

3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide (PubChem CID 24872359) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
PubChem CID24872359
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
SMILESCc1ccnn1CCC(=O)N[C@@H]1CCCC[C@H]1CN1CCCCC1
InChIInChI=1S/C19H32N4O/c1-16-9-11-20-23(16)14-10-19(24)21-18-8-4-3-7-17(18)15-22-12-5-2-6-13-22/h9,11,17-18H,2-8,10,12-15H2,1H3,(H,21,24)/t17-,18+/m0/s1
InChIKeyZKLCIOVVTDSSNR-ZWKOTPCHSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide (CID 24872359) is 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide is Cc1ccnn1CCC(=O)N[C@@H]1CCCC[C@H]1CN1CCCCC1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
The InChIKey is ZKLCIOVVTDSSNR-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H32N4O/c1-16-9-11-20-23(16)14-10-19(24)21-18-8-4-3-7-17(18)15-22-12-5-2-6-13-22/h9,11,17-18H,2-8,10,12-15H2,1H3,(H,21,24)/t17-,18+/m0/s1.
What are the key properties of 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide has a molecular weight of 332.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]propanamide is sourced from PubChem (CID 24872359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).