N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

C24H26N4O2 — CID 53098915

IUPACN-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)c1
InChIInChI=1S/C24H26N4O2/c1-30-21-7-5-6-18(14-21)16-25-24(29)20-10-8-19(9-11-20)22-15-23(27-17-26-22)28-12-3-2-4-13-28/h5-11,14-15,17H,2-4,12-13,16H2,1H3,(H,25,29)
InChIKeyQGBHVRHKVXJTQD-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.07
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53098915) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53098915
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)c1
InChIInChI=1S/C24H26N4O2/c1-30-21-7-5-6-18(14-21)16-25-24(29)20-10-8-19(9-11-20)22-15-23(27-17-26-22)28-12-3-2-4-13-28/h5-11,14-15,17H,2-4,12-13,16H2,1H3,(H,25,29)
InChIKeyQGBHVRHKVXJTQD-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
1-[6-(4-methoxyphenyl)pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90519455
1-[(3-methoxyphenyl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36505121
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022
2-(3-methoxyphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 38528215
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90519659

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 53098915) is N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is COc1cccc(CNC(=O)c2ccc(-c3cc(N4CCCCC4)ncn3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is QGBHVRHKVXJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-21-7-5-6-18(14-21)16-25-24(29)20-10-8-19(9-11-20)22-15-23(27-17-26-22)28-12-3-2-4-13-28/h5-11,14-15,17H,2-4,12-13,16H2,1H3,(H,25,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 402.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53098915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).