3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide

C30H34N4O2 — CID 70037789

IUPAC3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESNC(=O)c1cccc(C2CCN(CC3CCc4cc(NC(=O)Nc5ccccc5)ccc4C3)CC2)c1
InChIInChI=1S/C30H34N4O2/c31-29(35)26-6-4-5-23(18-26)22-13-15-34(16-14-22)20-21-9-10-25-19-28(12-11-24(25)17-21)33-30(36)32-27-7-2-1-3-8-27/h1-8,11-12,18-19,21-22H,9-10,13-17,20H2,(H2,31,35)(H2,32,33,36)
InChIKeyPUWRABIHUCEFLS-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.41
Rot. Bonds6

About 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide

3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 70037789) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
PubChem CID70037789
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
SMILESNC(=O)c1cccc(C2CCN(CC3CCc4cc(NC(=O)Nc5ccccc5)ccc4C3)CC2)c1
InChIInChI=1S/C30H34N4O2/c31-29(35)26-6-4-5-23(18-26)22-13-15-34(16-14-22)20-21-9-10-25-19-28(12-11-24(25)17-21)33-30(36)32-27-7-2-1-3-8-27/h1-8,11-12,18-19,21-22H,9-10,13-17,20H2,(H2,31,35)(H2,32,33,36)
InChIKeyPUWRABIHUCEFLS-UHFFFAOYSA-N
XLogP5.41
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide with MolForge

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Related Compounds

3-[1-[[6-[(4-phenoxyphenyl)carbamoylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide
CID 70036138
1-[6-[[4-(3-cyanophenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]-3-phenylurea
CID 70036557
2-[6-[4-[(3-chlorophenyl)carbamoylamino]phenyl]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 118467814
3-[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrrolidin-3-yl]benzamide
CID 140768722
1-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3-(4-ethylphenyl)urea;hydrochloride
CID 129111805
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
(5R,6S)-5-hydroxy-N-phenyl-6-[2-(4-phenylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 54418523
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
2-methyl-N-[3-[1-(3-phenylbut-3-enyl)piperidin-4-yl]phenyl]propanamide
CID 142203721
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
6-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 105471652

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide (CID 70037789) is 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide is NC(=O)c1cccc(C2CCN(CC3CCc4cc(NC(=O)Nc5ccccc5)ccc4C3)CC2)c1.
What is the InChIKey of 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is PUWRABIHUCEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c31-29(35)26-6-4-5-23(18-26)22-13-15-34(16-14-22)20-21-9-10-25-19-28(12-11-24(25)17-21)33-30(36)32-27-7-2-1-3-8-27/h1-8,11-12,18-19,21-22H,9-10,13-17,20H2,(H2,31,35)(H2,32,33,36).
What are the key properties of 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide?
3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[6-(phenylcarbamoylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 70037789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).