N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide

C24H30N6O2 — CID 86953597

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1C(NC(=O)N1CCN(C(C)c2cccnc2)CC1)c1nccn1C
InChIInChI=1S/C24H30N6O2/c1-18(19-7-6-10-25-17-19)29-13-15-30(16-14-29)24(31)27-22(23-26-11-12-28(23)2)20-8-4-5-9-21(20)32-3/h4-12,17-18,22H,13-16H2,1-3H3,(H,27,31)
InChIKeyQAPHJWOTHVSRPK-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.00
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide (PubChem CID 86953597) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
PubChem CID86953597
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
SMILESCOc1ccccc1C(NC(=O)N1CCN(C(C)c2cccnc2)CC1)c1nccn1C
InChIInChI=1S/C24H30N6O2/c1-18(19-7-6-10-25-17-19)29-13-15-30(16-14-29)24(31)27-22(23-26-11-12-28(23)2)20-8-4-5-9-21(20)32-3/h4-12,17-18,22H,13-16H2,1-3H3,(H,27,31)
InChIKeyQAPHJWOTHVSRPK-UHFFFAOYSA-N
XLogP3.00
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 55590525
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 86953714
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
2-(2-methoxyphenoxy)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 51269439
1-cyclooctyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 55597981
1,1-diethyl-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 110219057
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 99788947
2-cyclohexylidene-N-[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 94635187
2-cyclopentyl-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47014735

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide (CID 86953597) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide is COc1ccccc1C(NC(=O)N1CCN(C(C)c2cccnc2)CC1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
The InChIKey is QAPHJWOTHVSRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-18(19-7-6-10-25-17-19)29-13-15-30(16-14-29)24(31)27-22(23-26-11-12-28(23)2)20-8-4-5-9-21(20)32-3/h4-12,17-18,22H,13-16H2,1-3H3,(H,27,31).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86953597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).