1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide

C23H29N3O4 — CID 43043397

IUPAC1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C23H29N3O4/c1-24(16-18-6-8-20(9-7-18)25-11-14-29-15-12-25)22(27)19-4-2-10-26(17-19)23(28)21-5-3-13-30-21/h3,5-9,13,19H,2,4,10-12,14-17H2,1H3
InChIKeySISMWXWPJHDFGN-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.63
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide

1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43043397) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID43043397
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C23H29N3O4/c1-24(16-18-6-8-20(9-7-18)25-11-14-29-15-12-25)22(27)19-4-2-10-26(17-19)23(28)21-5-3-13-30-21/h3,5-9,13,19H,2,4,10-12,14-17H2,1H3
InChIKeySISMWXWPJHDFGN-UHFFFAOYSA-N
XLogP2.63
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-carbonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 47019411
N-[(2-chloro-5-nitrophenyl)methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 42938378
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 31985390
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
(3R)-1-(furan-2-carbonyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 135910064
N-[2-(3-chlorophenoxy)ethyl]-1-(furan-2-carbonyl)-N-methylpiperidine-3-carboxamide
CID 43044196
(3R)-1-(4-chlorobenzoyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 41154900
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
1-benzoyl-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 136524417
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
(3R)-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 38262955

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 43043397) is 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is SISMWXWPJHDFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-24(16-18-6-8-20(9-7-18)25-11-14-29-15-12-25)22(27)19-4-2-10-26(17-19)23(28)21-5-3-13-30-21/h3,5-9,13,19H,2,4,10-12,14-17H2,1H3.
What are the key properties of 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide?
1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43043397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).