1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C22H35N3O3 — CID 45203842

IUPAC1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1
InChIInChI=1S/C22H35N3O3/c26-21(23-16-20-6-3-15-28-20)17-7-11-24(12-8-17)19-9-13-25(14-10-19)22(27)18-4-1-2-5-18/h4,17,19-20H,1-3,5-16H2,(H,23,26)
InChIKeyGQIKVHFRSTUSLK-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.09
Rot. Bonds5

About 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 45203842) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID45203842
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1
InChIInChI=1S/C22H35N3O3/c26-21(23-16-20-6-3-15-28-20)17-7-11-24(12-8-17)19-9-13-25(14-10-19)22(27)18-4-1-2-5-18/h4,17,19-20H,1-3,5-16H2,(H,23,26)
InChIKeyGQIKVHFRSTUSLK-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 45203842) is 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(C2CCN(C(=O)C3=CCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GQIKVHFRSTUSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c26-21(23-16-20-6-3-15-28-20)17-7-11-24(12-8-17)19-9-13-25(14-10-19)22(27)18-4-1-2-5-18/h4,17,19-20H,1-3,5-16H2,(H,23,26).
What are the key properties of 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).