3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide

C26H31N5O2 — CID 92617594

IUPAC3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide
SMILESCOc1cccc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)c1
InChIInChI=1S/C26H31N5O2/c1-30(2)26-28-16-23(20-7-5-8-21(15-20)25(27)32)24(29-26)19-10-12-31(13-11-19)17-18-6-4-9-22(14-18)33-3/h4-9,14-16,19H,10-13,17H2,1-3H3,(H2,27,32)
InChIKeyGDXGZJCNBGOGGC-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.70
Rot. Bonds7

About 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide

3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide (PubChem CID 92617594) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide
PubChem CID92617594
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide
SMILESCOc1cccc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)c1
InChIInChI=1S/C26H31N5O2/c1-30(2)26-28-16-23(20-7-5-8-21(15-20)25(27)32)24(29-26)19-10-12-31(13-11-19)17-18-6-4-9-22(14-18)33-3/h4-9,14-16,19H,10-13,17H2,1-3H3,(H2,27,32)
InChIKeyGDXGZJCNBGOGGC-UHFFFAOYSA-N
XLogP3.70
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92618269
3-[4-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92618231
3-[2-(dimethylamino)-4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]pyrimidin-5-yl]benzamide
CID 127248673
3-[4-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 175656077
3-[2-(dimethylamino)-4-pyrrolidin-3-ylpyrimidin-5-yl]benzamide;hydrochloride
CID 71298577
3-[2-(dimethylamino)-4-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110266291
3-chloro-1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 175658170
1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 110266461
3-[4-[1-[4-(azepan-1-yl)butanoyl]piperidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 110152850
3-[4-[4-[2-(azetidin-1-yl)-2-oxoethyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 127248883
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328544
1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 127248735

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide (CID 92617594) is 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide is COc1cccc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(C(N)=O)c3)CC2)c1.
What is the InChIKey of 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide?
The InChIKey is GDXGZJCNBGOGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-30(2)26-28-16-23(20-7-5-8-21(15-20)25(27)32)24(29-26)19-10-12-31(13-11-19)17-18-6-4-9-22(14-18)33-3/h4-9,14-16,19H,10-13,17H2,1-3H3,(H2,27,32).
What are the key properties of 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide?
3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide has a molecular weight of 445.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 92617594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).