N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide

C21H27N3O3 — CID 7163043

IUPACN-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(N2CCN([C@H](CNC(=O)C3CC3)c3ccco3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-6-17(7-9-18)23-10-12-24(13-11-23)19(20-3-2-14-27-20)15-22-21(25)16-4-5-16/h2-3,6-9,14,16,19H,4-5,10-13,15H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyCFGQOWLQBPVJTQ-LJQANCHMSA-N
MW369.46 g/mol
LogP2.68
Rot. Bonds7

About N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide

N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 7163043) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID7163043
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
SMILESCOc1ccc(N2CCN([C@H](CNC(=O)C3CC3)c3ccco3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-26-18-8-6-17(7-9-18)23-10-12-24(13-11-23)19(20-3-2-14-27-20)15-22-21(25)16-4-5-16/h2-3,6-9,14,16,19H,4-5,10-13,15H2,1H3,(H,22,25)/t19-/m1/s1
InChIKeyCFGQOWLQBPVJTQ-LJQANCHMSA-N
XLogP2.68
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085
N'-cyclopentyl-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 41234806
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-hydroxyethyl)oxamide
CID 7163027
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
CID 7163067
N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 41234512
N-butyl-N'-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 7163023
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]cyclopropanecarboxamide
CID 7163040
4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 41234538
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 7163049

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide (CID 7163043) is N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide is COc1ccc(N2CCN([C@H](CNC(=O)C3CC3)c3ccco3)CC2)cc1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is CFGQOWLQBPVJTQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-18-8-6-17(7-9-18)23-10-12-24(13-11-23)19(20-3-2-14-27-20)15-22-21(25)16-4-5-16/h2-3,6-9,14,16,19H,4-5,10-13,15H2,1H3,(H,22,25)/t19-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide?
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 369.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 7163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).