1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one

C27H37N3O2 — CID 110093402

IUPAC1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1cccc(Cc2ccc(C3CCN(C(=O)CCN4CCCC(C)C4)CC3)nc2)c1
InChIInChI=1S/C27H37N3O2/c1-21-5-4-13-29(20-21)14-12-27(31)30-15-10-24(11-16-30)26-9-8-23(19-28-26)17-22-6-3-7-25(18-22)32-2/h3,6-9,18-19,21,24H,4-5,10-17,20H2,1-2H3
InChIKeyREUDORLCZMKHMA-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.51
Rot. Bonds7

About 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one

1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 110093402) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID110093402
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCOc1cccc(Cc2ccc(C3CCN(C(=O)CCN4CCCC(C)C4)CC3)nc2)c1
InChIInChI=1S/C27H37N3O2/c1-21-5-4-13-29(20-21)14-12-27(31)30-15-10-24(11-16-30)26-9-8-23(19-28-26)17-22-6-3-7-25(18-22)32-2/h3,6-9,18-19,21,24H,4-5,10-17,20H2,1-2H3
InChIKeyREUDORLCZMKHMA-UHFFFAOYSA-N
XLogP4.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 92616535
1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one
CID 129460164
N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 95834350
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615594
N-[2-(3-methoxyphenyl)ethyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109025513
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-[5-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92616532
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
2-[(3R)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]-5-[(3-methoxyphenyl)methyl]pyridine
CID 92616452
2-(3-methoxyphenyl)-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891852
3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92616486
5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
CID 110093308

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one (CID 110093402) is 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one is COc1cccc(Cc2ccc(C3CCN(C(=O)CCN4CCCC(C)C4)CC3)nc2)c1.
What is the InChIKey of 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is REUDORLCZMKHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-21-5-4-13-29(20-21)14-12-27(31)30-15-10-24(11-16-30)26-9-8-23(19-28-26)17-22-6-3-7-25(18-22)32-2/h3,6-9,18-19,21,24H,4-5,10-17,20H2,1-2H3.
What are the key properties of 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one?
1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 435.61 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110093402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).