piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone

C27H36N2O2 — CID 10409903

IUPACpiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3
InChIKeyVYXVWGFEAFGRIW-UHFFFAOYSA-N
MW420.60 g/mol
LogP5.48
Rot. Bonds6

About piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone

piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone (PubChem CID 10409903) has the molecular formula C27H36N2O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
PubChem CID10409903
Molecular FormulaC27H36N2O2
Molecular Weight420.60 g/mol
Exact Mass420.28
IUPAC Namepiperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone
SMILESCC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3
InChIKeyVYXVWGFEAFGRIW-UHFFFAOYSA-N
XLogP5.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-(4-ethoxybenzoyl)piperazine
CID 673609
Flavamine
CID 27443
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
2-{[3-(Piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218485
2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
N,N-Diethyl-4-[(2-methoxy-phenyl)-piperidin-4-ylidene-methyl]-benzamide
CID 10809678
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
(4-(3-(Dimethylamino)-1-phenoxypropyl)phenyl)(4-isopropylpiperazin-1-yl)methanone
CID 24948319
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386
Azepan-1-yl-[3-[(4-ethoxyphenoxy)methyl]phenyl]methanone
CID 1223083
2-({3-[(4-Cyclopentanecarbonylpiperazin-1-yl)carbonyl]phenyl}methoxy)benzamide
CID 11553859

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The IUPAC name of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone (CID 10409903) is piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The canonical SMILES for piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone is CC(C)Oc1ccccc1C1CCN(Cc2cccc(C(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
The InChIKey is VYXVWGFEAFGRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O2/c1-21(2)31-26-12-5-4-11-25(26)23-13-17-28(18-14-23)20-22-9-8-10-24(19-22)27(30)29-15-6-3-7-16-29/h4-5,8-12,19,21,23H,3,6-7,13-18,20H2,1-2H3.
What are the key properties of piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone?
piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone has a molecular weight of 420.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[3-[[4-(2-propan-2-yloxyphenyl)piperidin-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 10409903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).