1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one

C28H33N3O2 — CID 129460164

IUPAC1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one
SMILESCOc1cccc(N(C)CCC(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C28H33N3O2/c1-30(25-9-6-10-26(20-25)33-2)16-15-28(32)31-17-13-24(14-18-31)27-12-11-23(21-29-27)19-22-7-4-3-5-8-22/h3-12,20-21,24H,13-19H2,1-2H3
InChIKeyZYEFEYMEVFDXNH-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.91
Rot. Bonds8

About 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one

1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one (PubChem CID 129460164) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one.

Molecular Properties

Compound Name1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one
PubChem CID129460164
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one
SMILESCOc1cccc(N(C)CCC(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)c1
InChIInChI=1S/C28H33N3O2/c1-30(25-9-6-10-26(20-25)33-2)16-15-28(32)31-17-13-24(14-18-31)27-12-11-23(21-29-27)19-22-7-4-3-5-8-22/h3-12,20-21,24H,13-19H2,1-2H3
InChIKeyZYEFEYMEVFDXNH-UHFFFAOYSA-N
XLogP4.91
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(3-methylpiperidin-1-yl)propan-1-one
CID 110093402
1-[4-[5-(dimethylamino)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95828832
3-(3-methoxy-N-methylanilino)-1-[3-(1-propylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]propan-1-one
CID 110264625
1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 95809910
1-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 92616535
3-(4-methoxy-N-methylanilino)-1-[(3R)-3-[5-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95813769
3-(3-methoxy-N-methylanilino)-1-[2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265428
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615594
(1,3-dimethylpyrazol-4-yl)-[3-[5-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264048
2-[1-[3-(4-methoxy-N-methylanilino)propanoyl]piperidin-4-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92640321
6-[1-[3-(4-methoxy-3-methylphenyl)propanoyl]piperidin-4-yl]-N,N-dimethylpyridine-3-carboxamide
CID 92623279
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55800630

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one?
The IUPAC name of 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one (CID 129460164) is 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one.
What is the SMILES notation for 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one?
The canonical SMILES for 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one is COc1cccc(N(C)CCC(=O)N2CCC(c3ccc(Cc4ccccc4)cn3)CC2)c1.
What is the InChIKey of 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one?
The InChIKey is ZYEFEYMEVFDXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-30(25-9-6-10-26(20-25)33-2)16-15-28(32)31-17-13-24(14-18-31)27-12-11-23(21-29-27)19-22-7-4-3-5-8-22/h3-12,20-21,24H,13-19H2,1-2H3.
What are the key properties of 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one?
1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one has a molecular weight of 443.59 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-benzyl-2-pyridinyl)piperidin-1-yl]-3-(3-methoxy-N-methylanilino)propan-1-one is sourced from PubChem (CID 129460164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).