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

C23H37N3O3 — CID 45187660

IUPAC1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C2CCN(C(=O)C3=CCCCC3)CC2)CC1
InChIInChI=1S/C23H37N3O3/c27-22(24-17-21-7-4-16-29-21)18-8-12-25(13-9-18)20-10-14-26(15-11-20)23(28)19-5-2-1-3-6-19/h5,18,20-21H,1-4,6-17H2,(H,24,27)
InChIKeyKBNAWXCNYAITHD-UHFFFAOYSA-N
MW403.57 g/mol
LogP2.48
Rot. Bonds5

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

1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 45187660) has the molecular formula C23H37N3O3 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID45187660
Molecular FormulaC23H37N3O3
Molecular Weight403.57 g/mol
Exact Mass403.28
IUPAC Name1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C2CCN(C(=O)C3=CCCCC3)CC2)CC1
InChIInChI=1S/C23H37N3O3/c27-22(24-17-21-7-4-16-29-21)18-8-12-25(13-9-18)20-10-14-26(15-11-20)23(28)19-5-2-1-3-6-19/h5,18,20-21H,1-4,6-17H2,(H,24,27)
InChIKeyKBNAWXCNYAITHD-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[(2E)-4-methyl-2-pentenoyl]-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 45179401
1'-(3-methyl-2-butenoyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24816636
3-[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45175424
3-[1-(1-cyclohexen-1-ylacetyl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45196217
1'-(1-cyclopenten-1-ylcarbonyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 45203842
3-[1-(1-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45223678
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25385313
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 25385317
3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 25455864
3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 25455868
3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42214759
3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42214760

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 45187660) is 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(C2CCN(C(=O)C3=CCCCC3)CC2)CC1.
What is the InChIKey of 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is KBNAWXCNYAITHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3/c27-22(24-17-21-7-4-16-29-21)18-8-12-25(13-9-18)20-10-14-26(15-11-20)23(28)19-5-2-1-3-6-19/h5,18,20-21H,1-4,6-17H2,(H,24,27).
What are the key properties of 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 403.57 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45187660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).