1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide

C23H27N3O3 — CID 90521463

IUPAC1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C23H27N3O3/c1-29-20-7-3-2-6-19(20)23(10-11-23)22(28)25-15-17-8-13-26(14-9-17)21(27)18-5-4-12-24-16-18/h2-7,12,16-17H,8-11,13-15H2,1H3,(H,25,28)
InChIKeyCUNGFBYTKJRMLA-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.79
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide

1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 90521463) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
PubChem CID90521463
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C23H27N3O3/c1-29-20-7-3-2-6-19(20)23(10-11-23)22(28)25-15-17-8-13-26(14-9-17)21(27)18-5-4-12-24-16-18/h2-7,12,16-17H,8-11,13-15H2,1H3,(H,25,28)
InChIKeyCUNGFBYTKJRMLA-UHFFFAOYSA-N
XLogP2.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 121109138
N'-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786317
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
1-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90521505
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924733
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
N'-(2,5-dimethoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90521021
N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide (CID 90521463) is 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is CUNGFBYTKJRMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-20-7-3-2-6-19(20)23(10-11-23)22(28)25-15-17-8-13-26(14-9-17)21(27)18-5-4-12-24-16-18/h2-7,12,16-17H,8-11,13-15H2,1H3,(H,25,28).
What are the key properties of 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 90521463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).