4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide

C30H30N4O2 — CID 42857364

IUPAC4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)nc2)cc1
InChIInChI=1S/C30H30N4O2/c1-23-10-12-25(13-11-23)30(35)32-26-14-15-29(31-21-26)34-18-16-33(17-19-34)22-24-6-5-9-28(20-24)36-27-7-3-2-4-8-27/h2-15,20-21H,16-19,22H2,1H3,(H,32,35)
InChIKeyAJHMEFITLXPXDC-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.76
Rot. Bonds7

About 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide

4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 42857364) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID42857364
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)nc2)cc1
InChIInChI=1S/C30H30N4O2/c1-23-10-12-25(13-11-23)30(35)32-26-14-15-29(31-21-26)34-18-16-33(17-19-34)22-24-6-5-9-28(20-24)36-27-7-3-2-4-8-27/h2-15,20-21H,16-19,22H2,1H3,(H,32,35)
InChIKeyAJHMEFITLXPXDC-UHFFFAOYSA-N
XLogP5.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-[6-[4-[(3-phenoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 46053929
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 42857549
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
3-(4-cyanophenyl)-N-[6-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 24775002
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423
2,4-difluoro-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850153

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide (CID 42857364) is 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4cccc(Oc5ccccc5)c4)CC3)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is AJHMEFITLXPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-23-10-12-25(13-11-23)30(35)32-26-14-15-29(31-21-26)34-18-16-33(17-19-34)22-24-6-5-9-28(20-24)36-27-7-3-2-4-8-27/h2-15,20-21H,16-19,22H2,1H3,(H,32,35).
What are the key properties of 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide?
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 478.60 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 42857364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).