N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide

C31H33N3O2 — CID 21042068

IUPACN-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC(Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
InChIInChI=1S/C31H33N3O2/c35-30(20-23-10-12-25-6-2-4-8-28(25)18-23)33-21-29(34-31(36)26-13-15-32-16-14-26)19-22-9-11-24-5-1-3-7-27(24)17-22/h1-12,17-18,26,29,32H,13-16,19-21H2,(H,33,35)(H,34,36)
InChIKeyKNYYGZROBZCQAG-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.38
Rot. Bonds8

About N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide

N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide (PubChem CID 21042068) has the molecular formula C31H33N3O2 and a molecular weight of 479.62 g/mol. Its IUPAC name is N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide
PubChem CID21042068
Molecular FormulaC31H33N3O2
Molecular Weight479.62 g/mol
Exact Mass479.26
IUPAC NameN-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide
SMILESO=C(Cc1ccc2ccccc2c1)NCC(Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
InChIInChI=1S/C31H33N3O2/c35-30(20-23-10-12-25-6-2-4-8-28(25)18-23)33-21-29(34-31(36)26-13-15-32-16-14-26)19-22-9-11-24-5-1-3-7-27(24)17-22/h1-12,17-18,26,29,32H,13-16,19-21H2,(H,33,35)(H,34,36)
InChIKeyKNYYGZROBZCQAG-UHFFFAOYSA-N
XLogP4.38
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-3-naphthalen-2-yl-2-(piperidine-4-carbonylamino)propyl] N-(naphthalen-2-ylmethyl)carbamate
CID 59081957
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-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
CID 114315688
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
2-naphthalen-2-yl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103723083
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-(4-bromo-2-ethylbutyl)-2-naphthalen-2-ylacetamide
CID 114317561
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropyl]amino]-3-phenylpropanoic acid
CID 175552755
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-(1,3-dihydroxypropan-2-yl)piperidine-4-carboxamide
CID 65314727

Frequently Asked Questions

What is the IUPAC name of N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide (CID 21042068) is N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide is O=C(Cc1ccc2ccccc2c1)NCC(Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1.
What is the InChIKey of N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide?
The InChIKey is KNYYGZROBZCQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O2/c35-30(20-23-10-12-25-6-2-4-8-28(25)18-23)33-21-29(34-31(36)26-13-15-32-16-14-26)19-22-9-11-24-5-1-3-7-27(24)17-22/h1-12,17-18,26,29,32H,13-16,19-21H2,(H,33,35)(H,34,36).
What are the key properties of N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide?
N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide has a molecular weight of 479.62 g/mol, XLogP of 4.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-naphthalen-2-yl-3-[(2-naphthalen-2-ylacetyl)amino]propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 21042068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).