N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C25H30N2O3S — CID 55391334

IUPACN-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2cccs2)CC2CCCO2)CC1
InChIInChI=1S/C25H30N2O3S/c28-24(11-10-20-6-2-1-3-7-20)26-14-12-21(13-15-26)25(29)27(18-22-8-4-16-30-22)19-23-9-5-17-31-23/h1-3,5-7,9-11,17,21-22H,4,8,12-16,18-19H2/b11-10+
InChIKeyGFPYFCZRYLOCKO-ZHACJKMWSA-N
MW438.59 g/mol
LogP4.21
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 55391334) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID55391334
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2cccs2)CC2CCCO2)CC1
InChIInChI=1S/C25H30N2O3S/c28-24(11-10-20-6-2-1-3-7-20)26-14-12-21(13-15-26)25(29)27(18-22-8-4-16-30-22)19-23-9-5-17-31-23/h1-3,5-7,9-11,17,21-22H,4,8,12-16,18-19H2/b11-10+
InChIKeyGFPYFCZRYLOCKO-ZHACJKMWSA-N
XLogP4.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 43009560
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 1059704
(E)-4-oxo-4-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]but-2-enoic acid
CID 60953299
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 18168423
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
4-hydroxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 60936615
N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47090845
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 55456224
4-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79208816

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 55391334) is N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2cccs2)CC2CCCO2)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is GFPYFCZRYLOCKO-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H30N2O3S/c28-24(11-10-20-6-2-1-3-7-20)26-14-12-21(13-15-26)25(29)27(18-22-8-4-16-30-22)19-23-9-5-17-31-23/h1-3,5-7,9-11,17,21-22H,4,8,12-16,18-19H2/b11-10+.
What are the key properties of N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 438.59 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55391334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).