[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate

C25H35N3O3 — CID 69324997

IUPAC[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate
SMILESCC(C)N1CCC(Oc2ccc3cc(OC(=O)N(C)C4CCN(C)C4)ccc3c2)CC1
InChIInChI=1S/C25H35N3O3/c1-18(2)28-13-10-22(11-14-28)30-23-7-5-20-16-24(8-6-19(20)15-23)31-25(29)27(4)21-9-12-26(3)17-21/h5-8,15-16,18,21-22H,9-14,17H2,1-4H3
InChIKeyMKUONEOAJFKQTD-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.23
Rot. Bonds5

About [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate

[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate (PubChem CID 69324997) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Name[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate
PubChem CID69324997
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate
SMILESCC(C)N1CCC(Oc2ccc3cc(OC(=O)N(C)C4CCN(C)C4)ccc3c2)CC1
InChIInChI=1S/C25H35N3O3/c1-18(2)28-13-10-22(11-14-28)30-23-7-5-20-16-24(8-6-19(20)15-23)31-25(29)27(4)21-9-12-26(3)17-21/h5-8,15-16,18,21-22H,9-14,17H2,1-4H3
InChIKeyMKUONEOAJFKQTD-UHFFFAOYSA-N
XLogP4.23
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Naphthalen-2-yl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
CID 9879256
4-(3-Phenyl-propyl)-piperazine-1-carboxylic acid 2-(4-ethoxy-phenyl)-ethyl ester
CID 11047568
Ethyl 4-[3-[4-(4-methoxyphenyl)phenoxy]propyl]piperazine-1-carboxylate
CID 44335350
Ethyl 4-[(3-oxobenzo[f]chromen-1-yl)methyl]piperazine-1-carboxylate
CID 665596
tert-butyl (4S)-2,2-dimethyl-4-(naphthalen-2-yloxymethyl)-1,3-oxazolidine-3-carboxylate
CID 74223263
1-Methyl-4-(3-naphthalen-2-yloxypropyl)piperazine
CID 141430236
1-Piperazinecarboxylic acid, 4-(2-(6-methoxy-2-naphthalenyl)propyl)-, ethyl ester, monohydrochloride
CID 3055307
Naphthalen-2-yl piperidine-1-carboxylate
CID 3449945
2-Naphthalen-2-yloxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 831485
Ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
1-[4-(Butan-2-yl)piperazin-1-yl]-2-(naphthalen-2-yloxy)ethanone
CID 2881180
Ethyl 4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine-1-carboxylate
CID 3055308

Frequently Asked Questions

What is the IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate?
The IUPAC name of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate (CID 69324997) is [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate.
What is the SMILES notation for [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate?
The canonical SMILES for [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate is CC(C)N1CCC(Oc2ccc3cc(OC(=O)N(C)C4CCN(C)C4)ccc3c2)CC1.
What is the InChIKey of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate?
The InChIKey is MKUONEOAJFKQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18(2)28-13-10-22(11-14-28)30-23-7-5-20-16-24(8-6-19(20)15-23)31-25(29)27(4)21-9-12-26(3)17-21/h5-8,15-16,18,21-22H,9-14,17H2,1-4H3.
What are the key properties of [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate?
[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate has a molecular weight of 425.57 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl] N-methyl-N-(1-methylpyrrolidin-3-yl)carbamate is sourced from PubChem (CID 69324997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).