4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide

C30H28N4O3 — CID 166495125

IUPAC4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H28N4O3/c35-29(24-8-14-28(15-9-24)37-22-23-5-2-1-3-6-23)32-26-10-12-27(13-11-26)33-17-19-34(20-18-33)30(36)25-7-4-16-31-21-25/h1-16,21H,17-20,22H2,(H,32,35)
InChIKeyRGQCCZIHFZCWQO-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.88
Rot. Bonds7

About 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide

4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 166495125) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
PubChem CID166495125
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H28N4O3/c35-29(24-8-14-28(15-9-24)37-22-23-5-2-1-3-6-23)32-26-10-12-27(13-11-26)33-17-19-34(20-18-33)30(36)25-7-4-16-31-21-25/h1-16,21H,17-20,22H2,(H,32,35)
InChIKeyRGQCCZIHFZCWQO-UHFFFAOYSA-N
XLogP4.88
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-4-phenylmethoxybenzamide
CID 2960552
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
4-[(3-chlorophenyl)methoxy]-N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 157041394

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide (CID 166495125) is 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCN(C(=O)c3cccnc3)CC2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is RGQCCZIHFZCWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O3/c35-29(24-8-14-28(15-9-24)37-22-23-5-2-1-3-6-23)32-26-10-12-27(13-11-26)33-17-19-34(20-18-33)30(36)25-7-4-16-31-21-25/h1-16,21H,17-20,22H2,(H,32,35).
What are the key properties of 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide?
4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 492.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 166495125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).