N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C20H33N3O2 — CID 45244247

IUPACN-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)NCCc3ccco3)C2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(2)22-12-8-18(9-13-22)23-11-3-5-17(15-23)20(24)21-10-7-19-6-4-14-25-19/h4,6,14,16-18H,3,5,7-13,15H2,1-2H3,(H,21,24)
InChIKeyXPYWYXUTKFXBHF-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 45244247) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID45244247
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCCC(C(=O)NCCc3ccco3)C2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(2)22-12-8-18(9-13-22)23-11-3-5-17(15-23)20(24)21-10-7-19-6-4-14-25-19/h4,6,14,16-18H,3,5,7-13,15H2,1-2H3,(H,21,24)
InChIKeyXPYWYXUTKFXBHF-UHFFFAOYSA-N
XLogP2.52
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]cyclopentanecarboxamide
CID 110733508
(3R)-N-(furan-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)-N-prop-2-ynylpiperidine-3-carboxamide
CID 26320461
(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 29086668
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95563646
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 96557410
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
N-(2-phenylethyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 59279121
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970113
(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 28731376
N-(3-methylbutyl)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45173463
(3R)-1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 25458988

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 45244247) is N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(N2CCCC(C(=O)NCCc3ccco3)C2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is XPYWYXUTKFXBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(2)22-12-8-18(9-13-22)23-11-3-5-17(15-23)20(24)21-10-7-19-6-4-14-25-19/h4,6,14,16-18H,3,5,7-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 347.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 45244247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).