1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide

C21H33N3O3 — CID 86828642

IUPAC1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CCN(C)CC1
InChIInChI=1S/C21H33N3O3/c1-16(2)14-24(19-6-9-22(3)10-7-19)21(26)17-4-11-23(12-5-17)20(25)18-8-13-27-15-18/h8,13,15-17,19H,4-7,9-12,14H2,1-3H3
InChIKeyWLQZKNKTYWQRNK-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.71
Rot. Bonds5

About 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 86828642) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID86828642
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide
SMILESCC(C)CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CCN(C)CC1
InChIInChI=1S/C21H33N3O3/c1-16(2)14-24(19-6-9-22(3)10-7-19)21(26)17-4-11-23(12-5-17)20(25)18-8-13-27-15-18/h8,13,15-17,19H,4-7,9-12,14H2,1-3H3
InChIKeyWLQZKNKTYWQRNK-UHFFFAOYSA-N
XLogP2.71
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-carbonyl)-N-methyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134059017
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
methyl 2-[[1-(furan-3-carbonyl)piperidine-4-carbonyl]-propan-2-ylamino]acetate
CID 78885489
N-cyclopropyl-1-(furan-3-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35734927
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35706852
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 56512423

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide (CID 86828642) is 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide is CC(C)CN(C(=O)C1CCN(C(=O)c2ccoc2)CC1)C1CCN(C)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is WLQZKNKTYWQRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-16(2)14-24(19-6-9-22(3)10-7-19)21(26)17-4-11-23(12-5-17)20(25)18-8-13-27-15-18/h8,13,15-17,19H,4-7,9-12,14H2,1-3H3.
What are the key properties of 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(1-methylpiperidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 86828642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).