N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide

C22H30N4O2 — CID 42514353

About N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide

N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide (PubChem CID 42514353) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
• PubChem CID: 42514353
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(-c2[nH]ncc2CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc1
• InChI: InChI=1S/C22H30N4O2/c1-28-20-9-5-17(6-10-20)22-18(13-23-25-22)15-26-12-2-3-16(14-26)4-11-21(27)24-19-7-8-19/h5-6,9-10,13,16,19H,2-4,7-8,11-12,14-15H2,1H3,(H,23,25)(H,24,27)/t16-/m1/s1
• InChIKey: WRNMSDTTXCZLFI-MRXNPFEDSA-N
• XLogP: 3.36
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide (CID 42514353) is N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide is COc1ccc(-c2[nH]ncc2CN2CCC[C@H](CCC(=O)NC3CC3)C2)cc1.

What is the InChIKey of N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?

The InChIKey is WRNMSDTTXCZLFI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-28-20-9-5-17(6-10-20)22-18(13-23-25-22)15-26-12-2-3-16(14-26)4-11-21(27)24-19-7-8-19/h5-6,9-10,13,16,19H,2-4,7-8,11-12,14-15H2,1H3,(H,23,25)(H,24,27)/t16-/m1/s1.

What are the key properties of N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide?

N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide has a molecular weight of 382.51 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42514353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).