1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide

C26H34N4O2 — CID 95805849

IUPAC1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H34N4O2/c1-19(2)29-25(32)26(10-12-30(13-11-26)24(31)21-7-3-4-8-21)15-20-6-5-9-22(14-20)23-16-27-18-28-17-23/h5-6,9,14,16-19,21H,3-4,7-8,10-13,15H2,1-2H3,(H,29,32)
InChIKeyFSDTUEJHJASBEY-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.01
Rot. Bonds6

About 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 95805849) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID95805849
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C26H34N4O2/c1-19(2)29-25(32)26(10-12-30(13-11-26)24(31)21-7-3-4-8-21)15-20-6-5-9-22(14-20)23-16-27-18-28-17-23/h5-6,9,14,16-19,21H,3-4,7-8,10-13,15H2,1-2H3,(H,29,32)
InChIKeyFSDTUEJHJASBEY-UHFFFAOYSA-N
XLogP4.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084114
N-propan-2-yl-1-(pyridine-2-carbonyl)-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805848
1-(cyclohexanecarbonyl)-N-ethyl-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805756
(3R)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579562
(3S)-1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579563
N-methyl-1-[(1R,2S)-2-methylcyclopropanecarbonyl]-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 125015982
1-(cyclohexanecarbonyl)-N-propan-2-yl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231368
1-(cyclopentanecarbonyl)-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083956
1-benzoyl-N-ethyl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide
CID 110084101
1-[(1S,2R)-2-methylcyclopropanecarbonyl]-4-[[3-(2-methylphenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 95805840
1-(cyclopropanecarbonyl)-4-[[4-(2-fluorophenyl)phenyl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 110082405
3-[[3-(4-methylphenyl)phenyl]methyl]-N-propan-2-yl-1-(pyridine-4-carbonyl)pyrrolidine-3-carboxamide
CID 110229728

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide (CID 95805849) is 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FSDTUEJHJASBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19(2)29-25(32)26(10-12-30(13-11-26)24(31)21-7-3-4-8-21)15-20-6-5-9-22(14-20)23-16-27-18-28-17-23/h5-6,9,14,16-19,21H,3-4,7-8,10-13,15H2,1-2H3,(H,29,32).
What are the key properties of 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-propan-2-yl-4-[(3-pyrimidin-5-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 95805849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).