[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate

C31H33N3O3 — CID 59081957

IUPAC[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate
SMILESO=C(NCc1ccc2ccccc2c1)OC[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
InChIInChI=1S/C31H33N3O3/c35-30(26-13-15-32-16-14-26)34-29(19-22-9-11-24-5-1-3-7-27(24)17-22)21-37-31(36)33-20-23-10-12-25-6-2-4-8-28(25)18-23/h1-12,17-18,26,29,32H,13-16,19-21H2,(H,33,36)(H,34,35)/t29-/m1/s1
InChIKeyMPQQTVQTPZTBBU-GDLZYMKVSA-N
MW495.62 g/mol
LogP4.95
Rot. Bonds8

About [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate

[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate (PubChem CID 59081957) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate
PubChem CID59081957
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC Name[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate
SMILESO=C(NCc1ccc2ccccc2c1)OC[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
InChIInChI=1S/C31H33N3O3/c35-30(26-13-15-32-16-14-26)34-29(19-22-9-11-24-5-1-3-7-27(24)17-22)21-37-31(36)33-20-23-10-12-25-6-2-4-8-28(25)18-23/h1-12,17-18,26,29,32H,13-16,19-21H2,(H,33,36)(H,34,35)/t29-/m1/s1
InChIKeyMPQQTVQTPZTBBU-GDLZYMKVSA-N
XLogP4.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide
CID 21042068
N-[1-[[1-(cyclohexylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 54441088
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 163331694
4-(aminomethyl)-N-[1-[(4-methylphenyl)methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
CID 176691240
N-benzylpiperidine-4-carboxamide
CID 3868064
N-[(2R)-1-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-pyridin-4-ylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 53482643
N-[(2R)-3-hydroxy-1-naphthalen-2-ylbutan-2-yl]-4-(methylaminomethyl)cyclohexane-1-carboxamide
CID 177342310
N-[(4-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119280596
N-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 82133842
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
N-[2-(3,4-dimethoxyphenyl)-1-phenylethyl]piperidine-4-carboxamide;hydrochloride
CID 119312817

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate?
The IUPAC name of [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate (CID 59081957) is [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate.
What is the SMILES notation for [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate?
The canonical SMILES for [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate is O=C(NCc1ccc2ccccc2c1)OC[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1.
What is the InChIKey of [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate?
The InChIKey is MPQQTVQTPZTBBU-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H33N3O3/c35-30(26-13-15-32-16-14-26)34-29(19-22-9-11-24-5-1-3-7-27(24)17-22)21-37-31(36)33-20-23-10-12-25-6-2-4-8-28(25)18-23/h1-12,17-18,26,29,32H,13-16,19-21H2,(H,33,36)(H,34,35)/t29-/m1/s1.
What are the key properties of [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate?
[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate has a molecular weight of 495.62 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate is sourced from PubChem (CID 59081957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).