1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

C23H35N3O3 — CID 28734925

IUPAC1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C/C=C/c3ccco3)CC2)CC1
InChIInChI=1S/C23H35N3O3/c27-23(24-18-22-6-3-17-29-22)19-7-14-26(15-8-19)20-9-12-25(13-10-20)11-1-4-21-5-2-16-28-21/h1-2,4-5,16,19-20,22H,3,6-15,17-18H2,(H,24,27)/b4-1+/t22-/m1/s1
InChIKeyGATWWPKZGWLXPQ-IAMMWUAXSA-N
MW401.55 g/mol
LogP2.76
Rot. Bonds7

About 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide

1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 28734925) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
PubChem CID28734925
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C/C=C/c3ccco3)CC2)CC1
InChIInChI=1S/C23H35N3O3/c27-23(24-18-22-6-3-17-29-22)19-7-14-26(15-8-19)20-9-12-25(13-10-20)11-1-4-21-5-2-16-28-21/h1-2,4-5,16,19-20,22H,3,6-15,17-18H2,(H,24,27)/b4-1+/t22-/m1/s1
InChIKeyGATWWPKZGWLXPQ-IAMMWUAXSA-N
XLogP2.76
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-1-[1-(thian-4-yl)piperidin-4-yl]piperidine-4-carboxamide
CID 30869368
N-[[(2R)-oxolan-2-yl]methyl]-1-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42458414
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 60504183
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
3-oxo-N-(oxolan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108943657
1-(cyclohexylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163326678
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide (CID 28734925) is 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(C/C=C/c3ccco3)CC2)CC1.
What is the InChIKey of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is GATWWPKZGWLXPQ-IAMMWUAXSA-N. The full InChI is InChI=1S/C23H35N3O3/c27-23(24-18-22-6-3-17-29-22)19-7-14-26(15-8-19)20-9-12-25(13-10-20)11-1-4-21-5-2-16-28-21/h1-2,4-5,16,19-20,22H,3,6-15,17-18H2,(H,24,27)/b4-1+/t22-/m1/s1.
What are the key properties of 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide?
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 28734925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).