1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide

C20H31N3O2 — CID 42192225

IUPAC1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c24-19(21-17-5-6-17)15-7-11-22(12-8-15)18-9-13-23(14-10-18)20(25)16-3-1-2-4-16/h3,15,17-18H,1-2,4-14H2,(H,21,24)
InChIKeyDOHHXRLLEQMWDT-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.08
Rot. Bonds4

About 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide

1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 42192225) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID42192225
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1
InChIInChI=1S/C20H31N3O2/c24-19(21-17-5-6-17)15-7-11-22(12-8-15)18-9-13-23(14-10-18)20(25)16-3-1-2-4-16/h3,15,17-18H,1-2,4-14H2,(H,21,24)
InChIKeyDOHHXRLLEQMWDT-UHFFFAOYSA-N
XLogP2.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide (CID 42192225) is 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is DOHHXRLLEQMWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-19(21-17-5-6-17)15-7-11-22(12-8-15)18-9-13-23(14-10-18)20(25)16-3-1-2-4-16/h3,15,17-18H,1-2,4-14H2,(H,21,24).
What are the key properties of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide?
1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 42192225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).