N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide

C18H22N2O2 — CID 136512736

IUPACN-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1CN(Cc2ccccc2)CCC1NC(=O)c1ccco1
InChIInChI=1S/C18H22N2O2/c1-14-12-20(13-15-6-3-2-4-7-15)10-9-16(14)19-18(21)17-8-5-11-22-17/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyADCMGNILNMBOHV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.92
Rot. Bonds4

About N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide

N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 136512736) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
PubChem CID136512736
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide
SMILESCC1CN(Cc2ccccc2)CCC1NC(=O)c1ccco1
InChIInChI=1S/C18H22N2O2/c1-14-12-20(13-15-6-3-2-4-7-15)10-9-16(14)19-18(21)17-8-5-11-22-17/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,19,21)
InChIKeyADCMGNILNMBOHV-UHFFFAOYSA-N
XLogP2.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
methyl 1-[[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 124845729
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
1-(1-benzyl-3-methylpiperidin-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 111795636
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
(3S,4S)-1-benzyl-N,4-dimethylpiperidin-3-amine;2,3-dihydroxybutanedioic acid
CID 175597932
N-[(3S,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 167098946
N-(1-benzyl-3-methylpiperidin-4-yl)-2-chloropyrimidin-4-amine
CID 130891534
1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-3-methylpiperidin-4-amine
CID 86799905
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide (CID 136512736) is N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide is CC1CN(Cc2ccccc2)CCC1NC(=O)c1ccco1.
What is the InChIKey of N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is ADCMGNILNMBOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-12-20(13-15-6-3-2-4-7-15)10-9-16(14)19-18(21)17-8-5-11-22-17/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,19,21).
What are the key properties of N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide?
N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-methylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 136512736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).