(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone

C20H22BrNO — CID 121479163

IUPAC(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc2cc(Br)ccc2c1)[C@@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C20H22BrNO/c21-19-8-7-15-10-17(6-5-16(15)11-19)20(23)18-2-1-9-22(13-18)12-14-3-4-14/h5-8,10-11,14,18H,1-4,9,12-13H2/t18-/m1/s1
InChIKeyXPCWZTUROPZJHV-GOSISDBHSA-N
MW372.31 g/mol
LogP4.91
Rot. Bonds4

About (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone

(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone (PubChem CID 121479163) has the molecular formula C20H22BrNO and a molecular weight of 372.31 g/mol. Its IUPAC name is (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
PubChem CID121479163
Molecular FormulaC20H22BrNO
Molecular Weight372.31 g/mol
Exact Mass371.09
IUPAC Name(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc2cc(Br)ccc2c1)[C@@H]1CCCN(CC2CC2)C1
InChIInChI=1S/C20H22BrNO/c21-19-8-7-15-10-17(6-5-16(15)11-19)20(23)18-2-1-9-22(13-18)12-14-3-4-14/h5-8,10-11,14,18H,1-4,9,12-13H2/t18-/m1/s1
InChIKeyXPCWZTUROPZJHV-GOSISDBHSA-N
XLogP4.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
CID 121479292
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone
CID 134203310
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[1-(cyclopropylmethyl)-5-hydroxypiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479056
acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
CID 145118786
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
[(3R,4R)-1-(cyclopropylmethyl)-4-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479157

Frequently Asked Questions

What is the IUPAC name of (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone?
The IUPAC name of (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone (CID 121479163) is (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone is O=C(c1ccc2cc(Br)ccc2c1)[C@@H]1CCCN(CC2CC2)C1.
What is the InChIKey of (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone?
The InChIKey is XPCWZTUROPZJHV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22BrNO/c21-19-8-7-15-10-17(6-5-16(15)11-19)20(23)18-2-1-9-22(13-18)12-14-3-4-14/h5-8,10-11,14,18H,1-4,9,12-13H2/t18-/m1/s1.
What are the key properties of (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone?
(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone has a molecular weight of 372.31 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 121479163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).