N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide

C17H23N3O2 — CID 95223631

IUPACN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1ccc[nH]1
InChIInChI=1S/C17H23N3O2/c21-17(16-6-1-8-18-16)19-9-7-14-4-2-10-20(12-14)13-15-5-3-11-22-15/h1,3,5-6,8,11,14,18H,2,4,7,9-10,12-13H2,(H,19,21)/t14-/m1/s1
InChIKeyRQAVJZWWTXTMSQ-CQSZACIVSA-N
MW301.39 g/mol
LogP2.64
Rot. Bonds6

About N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide

N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 95223631) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
PubChem CID95223631
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1ccc[nH]1
InChIInChI=1S/C17H23N3O2/c21-17(16-6-1-8-18-16)19-9-7-14-4-2-10-20(12-14)13-15-5-3-11-22-15/h1,3,5-6,8,11,14,18H,2,4,7,9-10,12-13H2,(H,19,21)/t14-/m1/s1
InChIKeyRQAVJZWWTXTMSQ-CQSZACIVSA-N
XLogP2.64
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
3-amino-N-[2-[1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]benzamide;hydrochloride
CID 154887421
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
CID 95205126
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
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-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
N-[[(3S)-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95187962
N-[[(3S)-1-[(E)-3-(furan-2-yl)-2-methylprop-2-enyl]pyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 95192328
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide (CID 95223631) is N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide is O=C(NCC[C@H]1CCCN(Cc2ccco2)C1)c1ccc[nH]1.
What is the InChIKey of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RQAVJZWWTXTMSQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-17(16-6-1-8-18-16)19-9-7-14-4-2-10-20(12-14)13-15-5-3-11-22-15/h1,3,5-6,8,11,14,18H,2,4,7,9-10,12-13H2,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide?
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 95223631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).