3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

C16H24N2O2 — CID 62535020

IUPAC3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccc(OC)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-17-14-4-3-11-18(12-14)16(19)10-7-13-5-8-15(20-2)9-6-13/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3
InChIKeySCQRSWUHGQNZQX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

About 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 62535020) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID62535020
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCNC1CCCN(C(=O)CCc2ccc(OC)cc2)C1
InChIInChI=1S/C16H24N2O2/c1-17-14-4-3-11-18(12-14)16(19)10-7-13-5-8-15(20-2)9-6-13/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3
InChIKeySCQRSWUHGQNZQX-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119491882
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119492298
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
3-(4-methoxyphenyl)sulfanyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119487625
(3R)-N-(cyclopropylmethyl)-1-[3-(4-methoxyphenyl)propanoyl]piperidine-3-carboxamide
CID 94202656
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
3-(4-methoxyphenyl)-1-(3-phenoxypiperidin-1-yl)propan-1-one
CID 110605422
1-[3-(methylamino)piperidin-1-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propan-1-one
CID 119489331
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
3-(3-chlorophenyl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 24790178
3-(3-chlorophenyl)-1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 42240911

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one (CID 62535020) is 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is CNC1CCCN(C(=O)CCc2ccc(OC)cc2)C1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is SCQRSWUHGQNZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-14-4-3-11-18(12-14)16(19)10-7-13-5-8-15(20-2)9-6-13/h5-6,8-9,14,17H,3-4,7,10-12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 62535020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).