N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

C17H27N3O2 — CID 86892938

IUPACN-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1CN1CCCCC1)c1ccco1
InChIInChI=1S/C17H27N3O2/c1-14(16-8-6-12-22-16)18-17(21)20-11-5-7-15(20)13-19-9-3-2-4-10-19/h6,8,12,14-15H,2-5,7,9-11,13H2,1H3,(H,18,21)
InChIKeySIKPKINCSLNDLB-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.00
Rot. Bonds4

About N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 86892938) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID86892938
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1CN1CCCCC1)c1ccco1
InChIInChI=1S/C17H27N3O2/c1-14(16-8-6-12-22-16)18-17(21)20-11-5-7-15(20)13-19-9-3-2-4-10-19/h6,8,12,14-15H,2-5,7,9-11,13H2,1H3,(H,18,21)
InChIKeySIKPKINCSLNDLB-UHFFFAOYSA-N
XLogP3.00
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(3-nitrophenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95762740
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
N-[1-(furan-2-yl)ethyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 109499701
(2R)-N-(dicyclopropylmethyl)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97224407
3-(furan-2-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91209753
N-[1-(furan-2-yl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749135
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
(2S)-N-[2-(dimethylamino)phenyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95634923
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 98761689

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 86892938) is N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1CN1CCCCC1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is SIKPKINCSLNDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(16-8-6-12-22-16)18-17(21)20-11-5-7-15(20)13-19-9-3-2-4-10-19/h6,8,12,14-15H,2-5,7,9-11,13H2,1H3,(H,18,21).
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86892938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).