[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone

C22H27NO2 — CID 121479074

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1C
InChIInChI=1S/C22H27NO2/c1-15-20-9-7-18(12-17(20)8-10-21(15)25-2)22(24)19-4-3-11-23(14-19)13-16-5-6-16/h7-10,12,16,19H,3-6,11,13-14H2,1-2H3
InChIKeyHFLPKVONUATGTB-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.46
Rot. Bonds5

About [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone (PubChem CID 121479074) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
PubChem CID121479074
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1C
InChIInChI=1S/C22H27NO2/c1-15-20-9-7-18(12-17(20)8-10-21(15)25-2)22(24)19-4-3-11-23(14-19)13-16-5-6-16/h7-10,12,16,19H,3-6,11,13-14H2,1-2H3
InChIKeyHFLPKVONUATGTB-UHFFFAOYSA-N
XLogP4.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
CID 121479292
(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
3-(1-cyclobutylpiperidine-3-carbonyl)naphthalene-1-carboxamide;(1-cyclobutylpiperidin-3-yl)-(6-methoxy-5-methylnaphthalen-2-yl)methanone;3-(1-cyclopentylpiperidine-3-carbonyl)naphthalene-1-carboxamide;(1-cyclopentylpiperidin-3-yl)-(6-methoxy-5-methylnaphthalen-2-yl)methanone;2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile;3-[1-(cyclopropylmethyl)piperidine-3-carbonyl]naphthalene-1-carboxamide;[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone;(6-methoxy-5-methylnaphthalen-2-yl)-(1-propylpiperidin-3-yl)methanone
CID 159171276
[(3S)-1-cyclobutylpiperidin-3-yl]-(5-ethyl-6-methoxynaphthalen-2-yl)methanone;ethane
CID 145118967
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
(3,4-dimethoxyphenyl)-[1-(quinolin-2-ylmethyl)piperidin-3-yl]methanone
CID 45203336
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
ethyl 4-[[3-(3,4-dimethoxybenzoyl)piperidin-1-yl]methyl]pyrazolidine-3-carboxylate
CID 74805259
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(5-methoxynaphthalen-2-yl)methanone
CID 121479156
(3,4-dimethoxyphenyl)-[(3R)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]methanone
CID 25373372

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone (CID 121479074) is [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone is COc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1C.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone?
The InChIKey is HFLPKVONUATGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-15-20-9-7-18(12-17(20)8-10-21(15)25-2)22(24)19-4-3-11-23(14-19)13-16-5-6-16/h7-10,12,16,19H,3-6,11,13-14H2,1-2H3.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone has a molecular weight of 337.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone is sourced from PubChem (CID 121479074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).