4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide

C20H23N3O2 — CID 20978143

IUPAC4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C20H23N3O2/c21-18(24)15-6-8-16(9-7-15)19(25)23-14-20(10-12-22-13-11-20)17-4-2-1-3-5-17/h1-9,22H,10-14H2,(H2,21,24)(H,23,25)
InChIKeyMEYVKSHUBJUGAN-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.84
Rot. Bonds5

About 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide

4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide (PubChem CID 20978143) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
PubChem CID20978143
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C20H23N3O2/c21-18(24)15-6-8-16(9-7-15)19(25)23-14-20(10-12-22-13-11-20)17-4-2-1-3-5-17/h1-9,22H,10-14H2,(H2,21,24)(H,23,25)
InChIKeyMEYVKSHUBJUGAN-UHFFFAOYSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(1-phenylcyclobutyl)methylcarbamoyl]phenoxy]benzamide
CID 56546048
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
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4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 20596215
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100542760
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
methyl 2-[4-(benzamidomethyl)-4-phenylcyclohexylidene]acetate
CID 20596185
3-chloro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 18153649

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide (CID 20978143) is 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCNCC2)cc1.
What is the InChIKey of 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is MEYVKSHUBJUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-18(24)15-6-8-16(9-7-15)19(25)23-14-20(10-12-22-13-11-20)17-4-2-1-3-5-17/h1-9,22H,10-14H2,(H2,21,24)(H,23,25).
What are the key properties of 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide?
4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 20978143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).