piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone

C27H34N2O2 — CID 42592489

IUPACpiperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C27H34N2O2/c30-27(29-16-4-1-5-17-29)22-9-12-25(13-10-22)31-26-14-18-28(19-15-26)24-11-8-21-6-2-3-7-23(21)20-24/h2-3,6-7,9-10,12-13,24,26H,1,4-5,8,11,14-20H2/t24-/m1/s1
InChIKeyKFHBNDVSFLKLDW-XMMPIXPASA-N
MW418.58 g/mol
LogP4.71
Rot. Bonds4

About piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone

piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone (PubChem CID 42592489) has the molecular formula C27H34N2O2 and a molecular weight of 418.58 g/mol. Its IUPAC name is piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
PubChem CID42592489
Molecular FormulaC27H34N2O2
Molecular Weight418.58 g/mol
Exact Mass418.26
IUPAC Namepiperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(OC2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1)N1CCCCC1
InChIInChI=1S/C27H34N2O2/c30-27(29-16-4-1-5-17-29)22-9-12-25(13-10-22)31-26-14-18-28(19-15-26)24-11-8-21-6-2-3-7-23(21)20-24/h2-3,6-7,9-10,12-13,24,26H,1,4-5,8,11,14-20H2/t24-/m1/s1
InChIKeyKFHBNDVSFLKLDW-XMMPIXPASA-N
XLogP4.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-[4-[1-(thian-4-yl)piperidin-4-yl]oxyphenyl]methanone
CID 26328776
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
[4-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 68502756
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
piperidin-1-yl-[4-(1-pyridin-4-ylpiperidin-4-yl)oxyphenyl]methanone
CID 72924715
(6-amino-3-pyridinyl)-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methanone
CID 95725486
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
2H-benzotriazol-5-yl-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56910480
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-piperidin-1-ylmethanone
CID 69354891
[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 90652516

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone (CID 42592489) is piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone is O=C(c1ccc(OC2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is KFHBNDVSFLKLDW-XMMPIXPASA-N. The full InChI is InChI=1S/C27H34N2O2/c30-27(29-16-4-1-5-17-29)22-9-12-25(13-10-22)31-26-14-18-28(19-15-26)24-11-8-21-6-2-3-7-23(21)20-24/h2-3,6-7,9-10,12-13,24,26H,1,4-5,8,11,14-20H2/t24-/m1/s1.
What are the key properties of piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone?
piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 418.58 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 42592489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).