4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide

C21H25N3O3 — CID 75395580

IUPAC4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C21H25N3O3/c1-23(20(25)10-9-19-8-5-15-27-19)16-17-11-13-24(14-12-17)21(26)22-18-6-3-2-4-7-18/h2-10,15,17H,11-14,16H2,1H3,(H,22,26)/b10-9+
InChIKeyHKJURTGPEANCCW-MDZDMXLPSA-N
MW367.45 g/mol
LogP3.70
Rot. Bonds5

About 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide

4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 75395580) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID75395580
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C21H25N3O3/c1-23(20(25)10-9-19-8-5-15-27-19)16-17-11-13-24(14-12-17)21(26)22-18-6-3-2-4-7-18/h2-10,15,17H,11-14,16H2,1H3,(H,22,26)/b10-9+
InChIKeyHKJURTGPEANCCW-MDZDMXLPSA-N
XLogP3.70
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 26326658
4-[[4-(4-fluorophenyl)but-3-enoyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 91943726
4-[[2-methoxyethylcarbamoyl(methyl)amino]methyl]-N-phenylpiperidine-1-carboxamide
CID 75400177
(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106607941
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 155996619
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443
3-(furan-2-yl)-1-[4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 171136537
N-methyl-N-[[1-(phenylcarbamoyl)piperidin-4-yl]methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 75395584
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
4-[[[(2S)-2-(2-chlorophenoxy)butanoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
CID 97251414

Frequently Asked Questions

What is the IUPAC name of 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide (CID 75395580) is 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide is CN(CC1CCN(C(=O)Nc2ccccc2)CC1)C(=O)/C=C/c1ccco1.
What is the InChIKey of 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is HKJURTGPEANCCW-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-23(20(25)10-9-19-8-5-15-27-19)16-17-11-13-24(14-12-17)21(26)22-18-6-3-2-4-7-18/h2-10,15,17H,11-14,16H2,1H3,(H,22,26)/b10-9+.
What are the key properties of 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 75395580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).