4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

C23H29N5O2 — CID 162348631

IUPAC4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
SMILESO=C(NC1=NCCCN1)c1ccc(Nc2cccc(OCC3CCNCC3)c2)cc1
InChIInChI=1S/C23H29N5O2/c29-22(28-23-25-11-2-12-26-23)18-5-7-19(8-6-18)27-20-3-1-4-21(15-20)30-16-17-9-13-24-14-10-17/h1,3-8,15,17,24,27H,2,9-14,16H2,(H2,25,26,28,29)
InChIKeyVHGNEJJGYLPZIG-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.89
Rot. Bonds6

About 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide

4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide (PubChem CID 162348631) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
PubChem CID162348631
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
SMILESO=C(NC1=NCCCN1)c1ccc(Nc2cccc(OCC3CCNCC3)c2)cc1
InChIInChI=1S/C23H29N5O2/c29-22(28-23-25-11-2-12-26-23)18-5-7-19(8-6-18)27-20-3-1-4-21(15-20)30-16-17-9-13-24-14-10-17/h1,3-8,15,17,24,27H,2,9-14,16H2,(H2,25,26,28,29)
InChIKeyVHGNEJJGYLPZIG-UHFFFAOYSA-N
XLogP2.89
TPSA86.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-anilino-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide;butane;ethane;methane
CID 167576537
4-[3-(4-methylpiperazine-1-carbonyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 162348635
N-[3-[4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butoxy]phenyl]benzamide
CID 173318243
(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide
CID 155514323
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
N-phenyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzamide
CID 173309503
4-[3-(3-cyclohexylpropanoylamino)anilino]-3-methyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295606
2-methyl-N-(3-methylbutyl)-5-[4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)anilino]benzamide
CID 162348627
3-cyclopropyl-4-[3-(1-hydroxypropan-2-ylcarbamoyl)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295658
3-cyclopropyl-4-[3-[(1-methylcyclopropyl)carbamoyl]anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146295630
N-[3-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]acetamide;hydroiodide
CID 119115387
3-[3-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]amino]phenoxy]-3-phenylpropanoic acid
CID 22268573

Frequently Asked Questions

What is the IUPAC name of 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The IUPAC name of 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide (CID 162348631) is 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide.
What is the SMILES notation for 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The canonical SMILES for 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is O=C(NC1=NCCCN1)c1ccc(Nc2cccc(OCC3CCNCC3)c2)cc1.
What is the InChIKey of 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
The InChIKey is VHGNEJJGYLPZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c29-22(28-23-25-11-2-12-26-23)18-5-7-19(8-6-18)27-20-3-1-4-21(15-20)30-16-17-9-13-24-14-10-17/h1,3-8,15,17,24,27H,2,9-14,16H2,(H2,25,26,28,29).
What are the key properties of 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide?
4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide has a molecular weight of 407.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide is sourced from PubChem (CID 162348631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).