1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide

C18H26N2O3 — CID 72901888

IUPAC1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccoc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O3/c1-19(12-14-8-11-23-13-14)17(21)16-6-9-20(10-7-16)18(22)15-4-2-3-5-15/h8,11,13,15-16H,2-7,9-10,12H2,1H3
InChIKeyLTEKXXZZTRYJAO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.67
Rot. Bonds4

About 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 72901888) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide
PubChem CID72901888
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1ccoc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C18H26N2O3/c1-19(12-14-8-11-23-13-14)17(21)16-6-9-20(10-7-16)18(22)15-4-2-3-5-15/h8,11,13,15-16H,2-7,9-10,12H2,1H3
InChIKeyLTEKXXZZTRYJAO-UHFFFAOYSA-N
XLogP2.67
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Icosa-5,8,11,14-tetraenoic acid furan-3-ylmethyl-methyl-amide
CID 10883832
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-(furan-3-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 45242580
N-[2-(furan-3-carbonylamino)ethyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 53501847
3-[1-(Cyclopentylmethyl)piperidin-4-yl]-1-ethyl-1-(furan-3-ylmethyl)urea
CID 53577421
N-Cyclohexyl-N-(furan-3-ylmethyl)acetamide
CID 71929849
(5S,10S)-10-ethyl-9-(furan-3-ylmethyl)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97362530
(2R,3aS,7aR)-6-(furan-3-ylmethyl)-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366874
2-(Cyclopropylmethyl)-8-(furan-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370267
8-(Furan-3-ylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97393152
[1-[2-(Dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(furan-3-yl)methanone
CID 97396901
(4R,4aR,9aR)-2-(cyclopropylmethyl)-7-(furan-3-ylmethyl)-4-(methoxymethyl)-3,4,4a,5,6,8,9,9a-octahydropyrido[3,4-d]azepin-1-one
CID 97408226
(1S,11R)-2-(furan-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199354

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide (CID 72901888) is 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide is CN(Cc1ccoc1)C(=O)C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is LTEKXXZZTRYJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-19(12-14-8-11-23-13-14)17(21)16-6-9-20(10-7-16)18(22)15-4-2-3-5-15/h8,11,13,15-16H,2-7,9-10,12H2,1H3.
What are the key properties of 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-(furan-3-ylmethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72901888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).