N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide

C26H35N5O2 — CID 42197580

About N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 42197580) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide
• PubChem CID: 42197580
• Molecular Formula: C26H35N5O2
• Molecular Weight: 449.60 g/mol
• Exact Mass: 449.28
• IUPAC Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide
• SMILES: O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CCN(Cc2ccccc2)C1
• InChI: InChI=1S/C26H35N5O2/c32-24(27-21-13-14-30(18-21)17-20-5-2-1-3-6-20)10-9-19-11-15-31(16-12-19)26(33)25-22-7-4-8-23(22)28-29-25/h1-3,5-6,19,21H,4,7-18H2,(H,27,32)(H,28,29)/t21-/m1/s1
• InChIKey: WORYKARJQBKPCQ-OAQYLSRUSA-N
• XLogP: 2.92
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.60
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide?

The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide (CID 42197580) is N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide.

What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide?

The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)c2n[nH]c3c2CCC3)CC1)N[C@@H]1CCN(Cc2ccccc2)C1.

What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide?

The InChIKey is WORYKARJQBKPCQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H35N5O2/c32-24(27-21-13-14-30(18-21)17-20-5-2-1-3-6-20)10-9-19-11-15-31(16-12-19)26(33)25-22-7-4-8-23(22)28-29-25/h1-3,5-6,19,21H,4,7-18H2,(H,27,32)(H,28,29)/t21-/m1/s1.

What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide?

N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 449.60 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42197580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).