6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile

C21H24N2O — CID 121479047

IUPAC6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile
SMILESCCCN1CC[C@H](C)[C@@H](C(=O)c2ccc3cc(C#N)ccc3c2)C1
InChIInChI=1S/C21H24N2O/c1-3-9-23-10-8-15(2)20(14-23)21(24)19-7-6-17-11-16(13-22)4-5-18(17)12-19/h4-7,11-12,15,20H,3,8-10,14H2,1-2H3/t15-,20-/m0/s1
InChIKeyQBUTTZRSWPBBLI-YWZLYKJASA-N
MW320.44 g/mol
LogP4.26
Rot. Bonds4

About 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile

6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile (PubChem CID 121479047) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile
PubChem CID121479047
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile
SMILESCCCN1CC[C@H](C)[C@@H](C(=O)c2ccc3cc(C#N)ccc3c2)C1
InChIInChI=1S/C21H24N2O/c1-3-9-23-10-8-15(2)20(14-23)21(24)19-7-6-17-11-16(13-22)4-5-18(17)12-19/h4-7,11-12,15,20H,3,8-10,14H2,1-2H3/t15-,20-/m0/s1
InChIKeyQBUTTZRSWPBBLI-YWZLYKJASA-N
XLogP4.26
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclobutylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;(1-cyclopentylpiperidin-3-yl)-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methylsulfonylnaphthalen-2-yl)methanone;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-pyridin-2-ylnaphthalen-2-yl)methanone;6-[1-[(2-methylcyclopropyl)methyl]piperidine-3-carbonyl]naphthalene-2-carbonitrile;6-[(3S,4R)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile;hydrochloride
CID 158509223
3,5-bis(4-cyanophenoxy)-N-(1-propylpiperidin-4-yl)benzamide
CID 91557518
1-(4-cyanophenyl)-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 47070312
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
4-[3-(3-methoxy-4-methylpiperidin-1-yl)propoxy]benzonitrile
CID 102676445
1-[2-(4-cyanophenoxy)ethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720877
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
6-[(4-propylcyclohexyl)methoxy]naphthalene-2-carbonitrile
CID 23465055
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
2-[6-[(3S,4S)-1-cyclobutyl-4-methylpiperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479197
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479208

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile (CID 121479047) is 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile is CCCN1CC[C@H](C)[C@@H](C(=O)c2ccc3cc(C#N)ccc3c2)C1.
What is the InChIKey of 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile?
The InChIKey is QBUTTZRSWPBBLI-YWZLYKJASA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-9-23-10-8-15(2)20(14-23)21(24)19-7-6-17-11-16(13-22)4-5-18(17)12-19/h4-7,11-12,15,20H,3,8-10,14H2,1-2H3/t15-,20-/m0/s1.
What are the key properties of 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile?
6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile has a molecular weight of 320.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S)-4-methyl-1-propylpiperidine-3-carbonyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 121479047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).