4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide

C24H26N4O — CID 97282396

IUPAC4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN(Cc2ncccn2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H26N4O/c29-24(22-11-9-21(10-12-22)20-7-2-1-3-8-20)27-16-19-6-4-15-28(17-19)18-23-25-13-5-14-26-23/h1-3,5,7-14,19H,4,6,15-18H2,(H,27,29)/t19-/m1/s1
InChIKeyNVMPGWPSRXAXGJ-LJQANCHMSA-N
MW386.50 g/mol
LogP3.79
Rot. Bonds6

About 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide

4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide (PubChem CID 97282396) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
PubChem CID97282396
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCN(Cc2ncccn2)C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H26N4O/c29-24(22-11-9-21(10-12-22)20-7-2-1-3-8-20)27-16-19-6-4-15-28(17-19)18-23-25-13-5-14-26-23/h1-3,5,7-14,19H,4,6,15-18H2,(H,27,29)/t19-/m1/s1
InChIKeyNVMPGWPSRXAXGJ-LJQANCHMSA-N
XLogP3.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 72891106
N-[[1-[(2-aminopyrimidin-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45243187
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
N-[[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42195132
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
3-amino-N-[(1-benzylpiperidin-3-yl)methyl]pyrazine-2-carboxamide
CID 71936440
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97314958
1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide (CID 97282396) is 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide is O=C(NC[C@H]1CCCN(Cc2ncccn2)C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is NVMPGWPSRXAXGJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(22-11-9-21(10-12-22)20-7-2-1-3-8-20)27-16-19-6-4-15-28(17-19)18-23-25-13-5-14-26-23/h1-3,5,7-14,19H,4,6,15-18H2,(H,27,29)/t19-/m1/s1.
What are the key properties of 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide?
4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 97282396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).