N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide

C31H43N3O2 — CID 18727492

IUPACN-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCCN1C(=O)C1CCNCC1
InChIInChI=1S/C31H43N3O2/c35-30(29-19-7-8-24-34(29)31(36)27-20-22-32-23-21-27)33-28(17-9-15-25-11-3-1-4-12-25)18-10-16-26-13-5-2-6-14-26/h1-6,11-14,27-29,32H,7-10,15-24H2,(H,33,35)
InChIKeyKKLJFLHPSULXFD-UHFFFAOYSA-N
MW489.70 g/mol
LogP4.90
Rot. Bonds11

About N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide

N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide (PubChem CID 18727492) has the molecular formula C31H43N3O2 and a molecular weight of 489.70 g/mol. Its IUPAC name is N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
PubChem CID18727492
Molecular FormulaC31H43N3O2
Molecular Weight489.70 g/mol
Exact Mass489.34
IUPAC NameN-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCCN1C(=O)C1CCNCC1
InChIInChI=1S/C31H43N3O2/c35-30(29-19-7-8-24-34(29)31(36)27-20-22-32-23-21-27)33-28(17-9-15-25-11-3-1-4-12-25)18-10-16-26-13-5-2-6-14-26/h1-6,11-14,27-29,32H,7-10,15-24H2,(H,33,35)
InChIKeyKKLJFLHPSULXFD-UHFFFAOYSA-N
XLogP4.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.70
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3-phenylpropyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 99777092
1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
CID 142137849
tert-butyl 2-(1,7-dipyridin-3-ylheptan-4-ylcarbamoyl)piperidine-1-carboxylate
CID 91569312
N-(1,7-diphenylheptan-4-yl)-1-methylpiperidine-3-carboxamide
CID 142138153
N-(1,5-diphenylpentan-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119813623
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 119334584
1-(cyclopentanecarbonyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxamide
CID 166197517
N-(1-phenylhexan-3-yl)pyrrolidine-3-carboxamide
CID 119802857
benzyl (2S)-2-(4-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 59893762
4-phenyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 114917637
3-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)-1-N-phenyl-4-(piperidine-4-carbonyl)piperazine-1,3-dicarboxamide
CID 78455417

Frequently Asked Questions

What is the IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide (CID 18727492) is N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide is O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1CCCCN1C(=O)C1CCNCC1.
What is the InChIKey of N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is KKLJFLHPSULXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O2/c35-30(29-19-7-8-24-34(29)31(36)27-20-22-32-23-21-27)33-28(17-9-15-25-11-3-1-4-12-25)18-10-16-26-13-5-2-6-14-26/h1-6,11-14,27-29,32H,7-10,15-24H2,(H,33,35).
What are the key properties of N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide?
N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 489.70 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7-diphenylheptan-4-yl)-1-(piperidine-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 18727492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).