N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide

C29H29N5O — CID 164590008

IUPACN-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ncc(-c3ccccc3)cn2)c1
InChIInChI=1S/C29H29N5O/c35-28(32-26-14-16-34(17-15-26)21-22-8-3-1-4-9-22)24-12-7-13-27(18-24)33-29-30-19-25(20-31-29)23-10-5-2-6-11-23/h1-13,18-20,26H,14-17,21H2,(H,32,35)(H,30,31,33)
InChIKeySVOKIEREJVCPRV-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.28
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide

N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide (PubChem CID 164590008) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
PubChem CID164590008
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ncc(-c3ccccc3)cn2)c1
InChIInChI=1S/C29H29N5O/c35-28(32-26-14-16-34(17-15-26)21-22-8-3-1-4-9-22)24-12-7-13-27(18-24)33-29-30-19-25(20-31-29)23-10-5-2-6-11-23/h1-13,18-20,26H,14-17,21H2,(H,32,35)(H,30,31,33)
InChIKeySVOKIEREJVCPRV-UHFFFAOYSA-N
XLogP5.28
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-benzylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)benzamide
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N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide
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N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
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CID 3044759

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide (CID 164590008) is N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cccc(Nc2ncc(-c3ccccc3)cn2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide?
The InChIKey is SVOKIEREJVCPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c35-28(32-26-14-16-34(17-15-26)21-22-8-3-1-4-9-22)24-12-7-13-27(18-24)33-29-30-19-25(20-31-29)23-10-5-2-6-11-23/h1-13,18-20,26H,14-17,21H2,(H,32,35)(H,30,31,33).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide?
N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide has a molecular weight of 463.59 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(5-phenylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 164590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).