1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C23H27N3O2S — CID 166197529

IUPAC1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)/C(=C/c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C23H27N3O2S/c24-22(27)20-8-4-12-26(20)18-10-13-25(14-11-18)23(28)19(21-9-5-15-29-21)16-17-6-2-1-3-7-17/h1-3,5-7,9,15-16,18,20H,4,8,10-14H2,(H2,24,27)/b19-16+
InChIKeyHZJFXDPKZCWBKM-KNTRCKAVSA-N
MW409.56 g/mol
LogP3.23
Rot. Bonds5

About 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide

1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 166197529) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID166197529
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C1CCN(C(=O)/C(=C/c2ccccc2)c2cccs2)CC1
InChIInChI=1S/C23H27N3O2S/c24-22(27)20-8-4-12-26(20)18-10-13-25(14-11-18)23(28)19(21-9-5-15-29-21)16-17-6-2-1-3-7-17/h1-3,5-7,9,15-16,18,20H,4,8,10-14H2,(H2,24,27)/b19-16+
InChIKeyHZJFXDPKZCWBKM-KNTRCKAVSA-N
XLogP3.23
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[1-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 98756236
(2R)-1-[1-[(E)-3-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95281489
1-[3-(4-bromophenyl)-2-thiophen-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 74675313
(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95299250
3-(3-methylphenyl)-1-(3-methylpiperidin-1-yl)-2-thiophen-2-ylprop-2-en-1-one
CID 74652739
(2R)-1-[1-(4-phenylmethoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 52500753
(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94812898
1-[1-[2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 166197523
(Z)-1-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-3-(4-fluorophenyl)-2-thiophen-2-ylprop-2-en-1-one
CID 24669731
(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94821970
(2R)-1-[1-(2-ethoxypyridine-3-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95149907
benzyl (2S)-2-(thiophene-2-carbonyl)pyrrolidine-1-carboxylate
CID 102413104

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 166197529) is 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C1CCN(C(=O)/C(=C/c2ccccc2)c2cccs2)CC1.
What is the InChIKey of 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is HZJFXDPKZCWBKM-KNTRCKAVSA-N. The full InChI is InChI=1S/C23H27N3O2S/c24-22(27)20-8-4-12-26(20)18-10-13-25(14-11-18)23(28)19(21-9-5-15-29-21)16-17-6-2-1-3-7-17/h1-3,5-7,9,15-16,18,20H,4,8,10-14H2,(H2,24,27)/b19-16+.
What are the key properties of 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 409.56 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(Z)-3-phenyl-2-thiophen-2-ylprop-2-enoyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166197529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).