N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide

C21H29N3O3 — CID 7163085

IUPACN-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(N2CCN([C@@H](CNC(=O)C(C)C)c3ccco3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-16(2)21(25)22-15-19(20-5-4-14-27-20)24-12-10-23(11-13-24)17-6-8-18(26-3)9-7-17/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyHSKMEQNIEKCVFV-IBGZPJMESA-N
MW371.48 g/mol
LogP2.92
Rot. Bonds7

About N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide

N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide (PubChem CID 7163085) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
PubChem CID7163085
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
SMILESCOc1ccc(N2CCN([C@@H](CNC(=O)C(C)C)c3ccco3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c1-16(2)21(25)22-15-19(20-5-4-14-27-20)24-12-10-23(11-13-24)17-6-8-18(26-3)9-7-17/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyHSKMEQNIEKCVFV-IBGZPJMESA-N
XLogP2.92
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.92
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-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000
N-[(2R)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N'-propan-2-yloxamide
CID 7163067
N'-(2,2-dimethoxyethyl)-N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 16809973
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
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]cyclopropanecarboxamide
CID 7163043
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-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 16810004
4-chloro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 41234538
4-fluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 7163045
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-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide (CID 7163085) is N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide is COc1ccc(N2CCN([C@@H](CNC(=O)C(C)C)c3ccco3)CC2)cc1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
The InChIKey is HSKMEQNIEKCVFV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16(2)21(25)22-15-19(20-5-4-14-27-20)24-12-10-23(11-13-24)17-6-8-18(26-3)9-7-17/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,22,25)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide?
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide has a molecular weight of 371.48 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 7163085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).