N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide

C17H27N3O2 — CID 95200289

IUPACN-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC[C@@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C17H27N3O2/c21-17(14-19-7-1-2-8-19)18-11-15-5-3-9-20(12-15)13-16-6-4-10-22-16/h4,6,10,15H,1-3,5,7-9,11-14H2,(H,18,21)/t15-/m0/s1
InChIKeyFLNPPDJBALQVHF-HNNXBMFYSA-N
MW305.42 g/mol
LogP1.70
Rot. Bonds6

About N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide

N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 95200289) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID95200289
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NC[C@@H]1CCCN(Cc2ccco2)C1
InChIInChI=1S/C17H27N3O2/c21-17(14-19-7-1-2-8-19)18-11-15-5-3-9-20(12-15)13-16-6-4-10-22-16/h4,6,10,15H,1-3,5,7-9,11-14H2,(H,18,21)/t15-/m0/s1
InChIKeyFLNPPDJBALQVHF-HNNXBMFYSA-N
XLogP1.70
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 95218334
N-[[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 95191321
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-pentan-3-ylpyrazol-3-yl)urea
CID 74241621
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
N-[[1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 56722802
N-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-3-yl]cyclopropanecarboxamide
CID 163345083
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide (CID 95200289) is N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NC[C@@H]1CCCN(Cc2ccco2)C1.
What is the InChIKey of N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is FLNPPDJBALQVHF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O2/c21-17(14-19-7-1-2-8-19)18-11-15-5-3-9-20(12-15)13-16-6-4-10-22-16/h4,6,10,15H,1-3,5,7-9,11-14H2,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide?
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 305.42 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 95200289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).