N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide

C29H36N2O2 — CID 4660551

IUPACN-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H36N2O2/c32-27(30-28-18-21-15-22(19-28)17-23(16-21)20-28)31-13-11-26(12-14-31)29(33,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23,26,33H,11-20H2,(H,30,32)
InChIKeyRFCMYAPBKUMPKY-UHFFFAOYSA-N
MW444.62 g/mol
LogP5.31
Rot. Bonds4

About N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide

N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide (PubChem CID 4660551) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
PubChem CID4660551
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC NameN-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H36N2O2/c32-27(30-28-18-21-15-22(19-28)17-23(16-21)20-28)31-13-11-26(12-14-31)29(33,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23,26,33H,11-20H2,(H,30,32)
InChIKeyRFCMYAPBKUMPKY-UHFFFAOYSA-N
XLogP5.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
N-(1-adamantyl)-3-aminopyrrolidine-1-carboxamide;hydrochloride
CID 154904087
N-(1-adamantyl)-4-(1,3-benzoxazol-2-yl)piperidine-1-carboxamide
CID 44753677
N-(1-adamantyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165113
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95894763
N-(1-adamantyl)-2,2-diphenylpropanamide
CID 10737199
1-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]ethanone
CID 14698741
[(1S,6S)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138424
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]methanone
CID 98138425
N-(1-adamantyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carboxamide
CID 7122454
4-[hydroxy(diphenyl)methyl]-N-(4-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 90316470
benzyl 4-[hydroxy(diphenyl)methyl]piperidine-1-carboxylate
CID 10549065

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide (CID 4660551) is N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is RFCMYAPBKUMPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O2/c32-27(30-28-18-21-15-22(19-28)17-23(16-21)20-28)31-13-11-26(12-14-31)29(33,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,21-23,26,33H,11-20H2,(H,30,32).
What are the key properties of N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide?
N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 444.62 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 4660551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).