1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide

C24H29N3O3 — CID 55902883

IUPAC1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H29N3O3/c1-17(20-5-4-7-22(15-20)30-16-21-6-2-3-12-25-21)26-23(28)18-10-13-27(14-11-18)24(29)19-8-9-19/h2-7,12,15,17-19H,8-11,13-14,16H2,1H3,(H,26,28)
InChIKeyHDYMTRQXTKHMPF-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.49
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide (PubChem CID 55902883) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
PubChem CID55902883
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C24H29N3O3/c1-17(20-5-4-7-22(15-20)30-16-21-6-2-3-12-25-21)26-23(28)18-10-13-27(14-11-18)24(29)19-8-9-19/h2-7,12,15,17-19H,8-11,13-14,16H2,1H3,(H,26,28)
InChIKeyHDYMTRQXTKHMPF-UHFFFAOYSA-N
XLogP3.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549389
5-methyl-1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122332
(2S,5R)-5-(aminomethyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798285
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119852182
1-[[(1S)-1-(3-phenylmethoxyphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011906
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
2-cyclobutyloxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 86970699
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide (CID 55902883) is 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)C2CC2)CC1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide?
The InChIKey is HDYMTRQXTKHMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(20-5-4-7-22(15-20)30-16-21-6-2-3-12-25-21)26-23(28)18-10-13-27(14-11-18)24(29)19-8-9-19/h2-7,12,15,17-19H,8-11,13-14,16H2,1H3,(H,26,28).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55902883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).