3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide

C24H32N4O2 — CID 26331253

IUPAC3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCCC[C@H]1C[C@H]1C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-6-19-17-21(19)24(30)27-15-12-20(13-16-27)28-22(11-14-25-28)26-23(29)10-9-18-7-4-3-5-8-18/h3-5,7-8,11,14,19-21H,2,6,9-10,12-13,15-17H2,1H3,(H,26,29)/t19-,21+/m0/s1
InChIKeyLNMQYFWCPBPLHM-PZJWPPBQSA-N
MW408.55 g/mol
LogP4.05
Rot. Bonds8

About 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide

3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 26331253) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID26331253
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCCC[C@H]1C[C@H]1C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-6-19-17-21(19)24(30)27-15-12-20(13-16-27)28-22(11-14-25-28)26-23(29)10-9-18-7-4-3-5-8-18/h3-5,7-8,11,14,19-21H,2,6,9-10,12-13,15-17H2,1H3,(H,26,29)/t19-,21+/m0/s1
InChIKeyLNMQYFWCPBPLHM-PZJWPPBQSA-N
XLogP4.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide (CID 26331253) is 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide is CCC[C@H]1C[C@H]1C(=O)N1CCC(n2nccc2NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is LNMQYFWCPBPLHM-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-6-19-17-21(19)24(30)27-15-12-20(13-16-27)28-22(11-14-25-28)26-23(29)10-9-18-7-4-3-5-8-18/h3-5,7-8,11,14,19-21H,2,6,9-10,12-13,15-17H2,1H3,(H,26,29)/t19-,21+/m0/s1.
What are the key properties of 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide?
3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-[1-[(1R,2S)-2-propylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 26331253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).