(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate

C23H27FN2O2 — CID 176727609

IUPAC(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate
SMILESC#Cc1c(F)ccc2cc(OC(=O)N(C)CC3CCCCN3)cc(C(C)C)c12
InChIInChI=1S/C23H27FN2O2/c1-5-19-21(24)10-9-16-12-18(13-20(15(2)3)22(16)19)28-23(27)26(4)14-17-8-6-7-11-25-17/h1,9-10,12-13,15,17,25H,6-8,11,14H2,2-4H3
InChIKeyZDHOSRRRIXFLLG-UHFFFAOYSA-N
MW382.48 g/mol
LogP4.66
Rot. Bonds4

About (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate

(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate (PubChem CID 176727609) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate.

Molecular Properties

Compound Name(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate
PubChem CID176727609
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate
SMILESC#Cc1c(F)ccc2cc(OC(=O)N(C)CC3CCCCN3)cc(C(C)C)c12
InChIInChI=1S/C23H27FN2O2/c1-5-19-21(24)10-9-16-12-18(13-20(15(2)3)22(16)19)28-23(27)26(4)14-17-8-6-7-11-25-17/h1,9-10,12-13,15,17,25H,6-8,11,14H2,2-4H3
InChIKeyZDHOSRRRIXFLLG-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 176727794
3-bromo-4-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107956374
2-(4-methoxyphenyl)-N-methyl-N-(piperidin-2-ylmethyl)acetamide
CID 106627189
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337
methoxymethyl N-(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl)carbamate
CID 178101861
4-fluoro-3-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611187
3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
2-fluoro-4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607793
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
7-[8-ethynyl-7-fluoro-3-(trifluoromethyl)naphthalen-1-yl]-8-fluoro-N-methyl-2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[[(2S)-piperidin-2-yl]methyl]pyrido[4,3-d]pyrimidin-4-amine
CID 166550493

Frequently Asked Questions

What is the IUPAC name of (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate?
The IUPAC name of (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate (CID 176727609) is (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate.
What is the SMILES notation for (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate?
The canonical SMILES for (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate is C#Cc1c(F)ccc2cc(OC(=O)N(C)CC3CCCCN3)cc(C(C)C)c12.
What is the InChIKey of (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate?
The InChIKey is ZDHOSRRRIXFLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-5-19-21(24)10-9-16-12-18(13-20(15(2)3)22(16)19)28-23(27)26(4)14-17-8-6-7-11-25-17/h1,9-10,12-13,15,17,25H,6-8,11,14H2,2-4H3.
What are the key properties of (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate?
(5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate has a molecular weight of 382.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethynyl-6-fluoro-4-propan-2-ylnaphthalen-2-yl) N-methyl-N-(piperidin-2-ylmethyl)carbamate is sourced from PubChem (CID 176727609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).