methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate

C18H20N2O3 — CID 108561371

IUPACmethyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H20N2O3/c1-23-18(22)20-11-9-14(10-12-20)19-17(21)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14H,9-12H2,1H3,(H,19,21)
InChIKeyVECZSLIKBCOMSW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.80
Rot. Bonds2

About methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate

methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate (PubChem CID 108561371) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
PubChem CID108561371
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H20N2O3/c1-23-18(22)20-11-9-14(10-12-20)19-17(21)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14H,9-12H2,1H3,(H,19,21)
InChIKeyVECZSLIKBCOMSW-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554010
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
methyl 4-[(3-hydroxynaphthalene-2-carbonyl)amino]piperidine-1-carboxylate
CID 86841438
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554034
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554067
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
N-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554022

Frequently Asked Questions

What is the IUPAC name of methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate (CID 108561371) is methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate?
The InChIKey is VECZSLIKBCOMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-18(22)20-11-9-14(10-12-20)19-17(21)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,14H,9-12H2,1H3,(H,19,21).
What are the key properties of methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate?
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 108561371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).