3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

C25H29N5O2 — CID 56719004

IUPAC3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1)NCc1cccnc1
InChIInChI=1S/C25H29N5O2/c31-24(27-18-22-5-2-11-26-17-22)8-7-20-9-14-29(15-10-20)25(32)23-6-1-4-21(16-23)19-30-13-3-12-28-30/h1-6,11-13,16-17,20H,7-10,14-15,18-19H2,(H,27,31)
InChIKeyBLEMNNKPMAOUCQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.28
Rot. Bonds8

About 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 56719004) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
PubChem CID56719004
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
SMILESO=C(CCC1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1)NCc1cccnc1
InChIInChI=1S/C25H29N5O2/c31-24(27-18-22-5-2-11-26-17-22)8-7-20-9-14-29(15-10-20)25(32)23-6-1-4-21(16-23)19-30-13-3-12-28-30/h1-6,11-13,16-17,20H,7-10,14-15,18-19H2,(H,27,31)
InChIKeyBLEMNNKPMAOUCQ-UHFFFAOYSA-N
XLogP3.28
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-oxo-4-phenylbutanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 25289998
3-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 56858466
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 45190596
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 42159544
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 19291224
N-(pyridin-3-ylmethyl)-3-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]propanamide
CID 25288418
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552
[3-(aminomethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 154911472

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide (CID 56719004) is 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is O=C(CCC1CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1)NCc1cccnc1.
What is the InChIKey of 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is BLEMNNKPMAOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c31-24(27-18-22-5-2-11-26-17-22)8-7-20-9-14-29(15-10-20)25(32)23-6-1-4-21(16-23)19-30-13-3-12-28-30/h1-6,11-13,16-17,20H,7-10,14-15,18-19H2,(H,27,31).
What are the key properties of 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide?
3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 431.54 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 56719004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).