N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide

C26H28N4O3 — CID 58347672

IUPACN-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide
SMILESCN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)Cc2cnccn2)CC1
InChIInChI=1S/C26H28N4O3/c1-29(23-11-15-30(16-12-23)25(31)17-22-18-27-13-14-28-22)26(32)21-7-9-24(10-8-21)33-19-20-5-3-2-4-6-20/h2-10,13-14,18,23H,11-12,15-17,19H2,1H3
InChIKeyTUCMRHBRFQHWNA-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.36
Rot. Bonds7

About N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide

N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide (PubChem CID 58347672) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide
PubChem CID58347672
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide
SMILESCN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)Cc2cnccn2)CC1
InChIInChI=1S/C26H28N4O3/c1-29(23-11-15-30(16-12-23)25(31)17-22-18-27-13-14-28-22)26(32)21-7-9-24(10-8-21)33-19-20-5-3-2-4-6-20/h2-10,13-14,18,23H,11-12,15-17,19H2,1H3
InChIKeyTUCMRHBRFQHWNA-UHFFFAOYSA-N
XLogP3.36
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)benzamide
CID 136538206
1-[4-[3-(3-phenylpropoxy)benzoyl]piperazin-1-yl]-2-pyrazin-2-ylethanone
CID 58347483
6-[2-oxo-2-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 58347519
N-methyl-N-(1-methylimidazol-2-yl)-4-phenylmethoxybenzamide
CID 154801364
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
2-[methyl(pyrazin-2-yl)amino]-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 56818972
2-[methyl-[1-[4-(phenoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129008282
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
N-cyclopentyl-N-ethyl-4-(phenoxymethyl)benzamide
CID 55587210
1-[4-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-1-yl]-2-pyridin-3-ylethanone;oxalic acid
CID 123138681

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide?
The IUPAC name of N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide (CID 58347672) is N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide is CN(C(=O)c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)Cc2cnccn2)CC1.
What is the InChIKey of N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide?
The InChIKey is TUCMRHBRFQHWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-29(23-11-15-30(16-12-23)25(31)17-22-18-27-13-14-28-22)26(32)21-7-9-24(10-8-21)33-19-20-5-3-2-4-6-20/h2-10,13-14,18,23H,11-12,15-17,19H2,1H3.
What are the key properties of N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide?
N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenylmethoxy-N-[1-(2-pyrazin-2-ylacetyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 58347672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).