cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate

C19H18N2O3 — CID 32609032

IUPACcyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
SMILESN#CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H18N2O3/c20-10-12-24-19(23)15-7-4-11-21(13-15)18(22)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15H,4,7,11-13H2/t15-/m0/s1
InChIKeyUHHMREZOUJYELG-HNNXBMFYSA-N
MW322.36 g/mol
LogP2.76
Rot. Bonds3

About cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate

cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate (PubChem CID 32609032) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namecyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
PubChem CID32609032
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Namecyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
SMILESN#CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H18N2O3/c20-10-12-24-19(23)15-7-4-11-21(13-15)18(22)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15H,4,7,11-13H2/t15-/m0/s1
InChIKeyUHHMREZOUJYELG-HNNXBMFYSA-N
XLogP2.76
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 47012368
cyanomethyl (3R)-1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 51455141
N-[4-(cyanomethyl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 55429914
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532

Frequently Asked Questions

What is the IUPAC name of cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The IUPAC name of cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate (CID 32609032) is cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate is N#CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
The InChIKey is UHHMREZOUJYELG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-10-12-24-19(23)15-7-4-11-21(13-15)18(22)17-9-3-6-14-5-1-2-8-16(14)17/h1-3,5-6,8-9,15H,4,7,11-13H2/t15-/m0/s1.
What are the key properties of cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate?
cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 32609032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).