N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide

C17H22N4O — CID 87038105

IUPACN-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H22N4O/c22-17(9-14-21-13-4-10-18-21)19-15-5-7-16(8-6-15)20-11-2-1-3-12-20/h4-8,10,13H,1-3,9,11-12,14H2,(H,19,22)
InChIKeyMCFZWVJWDJAERE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.90
Rot. Bonds5

About N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide

N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide (PubChem CID 87038105) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
PubChem CID87038105
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H22N4O/c22-17(9-14-21-13-4-10-18-21)19-15-5-7-16(8-6-15)20-11-2-1-3-12-20/h4-8,10,13H,1-3,9,11-12,14H2,(H,19,22)
InChIKeyMCFZWVJWDJAERE-UHFFFAOYSA-N
XLogP2.90
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
3-pyrazol-1-yl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 31816779
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyrazol-1-ylpropanamide
CID 87039151
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-(5-piperazin-1-yl-2-pyridinyl)-3-pyrazol-1-ylpropanamide
CID 119494267
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
3-indol-1-yl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 42392939

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide (CID 87038105) is N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide?
The InChIKey is MCFZWVJWDJAERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(9-14-21-13-4-10-18-21)19-15-5-7-16(8-6-15)20-11-2-1-3-12-20/h4-8,10,13H,1-3,9,11-12,14H2,(H,19,22).
What are the key properties of N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide?
N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 87038105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).