(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

C26H33N3O2 — CID 92587314

IUPAC(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1
InChIInChI=1S/C26H33N3O2/c1-3-12-28-25(31)26(11-4-15-29(18-26)24(30)23-16-19(23)2)17-20-5-7-21(8-6-20)22-9-13-27-14-10-22/h5-10,13-14,19,23H,3-4,11-12,15-18H2,1-2H3,(H,28,31)/t19-,23-,26-/m0/s1
InChIKeyWKNWBUTXFGXYJW-CZZAQMAHSA-N
MW419.57 g/mol
LogP4.08
Rot. Bonds7

About (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92587314) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92587314
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1
InChIInChI=1S/C26H33N3O2/c1-3-12-28-25(31)26(11-4-15-29(18-26)24(30)23-16-19(23)2)17-20-5-7-21(8-6-20)22-9-13-27-14-10-22/h5-10,13-14,19,23H,3-4,11-12,15-18H2,1-2H3,(H,28,31)/t19-,23-,26-/m0/s1
InChIKeyWKNWBUTXFGXYJW-CZZAQMAHSA-N
XLogP4.08
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(cyclopentanecarbonyl)-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587317
(3S)-N-ethyl-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591856
(3S)-N-ethyl-3-[[4-(4-methoxyphenyl)phenyl]methyl]-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidine-3-carboxamide
CID 92591842
(3R)-N-propyl-1-(pyridin-3-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92587333
(3S)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583434
(3S)-N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92583392
(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
(3R)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]-N-propan-2-yl-3-[(4-thiophen-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 95848779
N-ethyl-1-(2-methylcyclopropanecarbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232027
(3S)-1-(cyclohexanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591906
1-(2-methylcyclopropanecarbonyl)-N-prop-2-enyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231872

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide (CID 92587314) is (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(C(=O)[C@H]2C[C@@H]2C)C1.
What is the InChIKey of (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is WKNWBUTXFGXYJW-CZZAQMAHSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-3-12-28-25(31)26(11-4-15-29(18-26)24(30)23-16-19(23)2)17-20-5-7-21(8-6-20)22-9-13-27-14-10-22/h5-10,13-14,19,23H,3-4,11-12,15-18H2,1-2H3,(H,28,31)/t19-,23-,26-/m0/s1.
What are the key properties of (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]-N-propyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92587314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).