N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide

C23H32N4O2 — CID 55717821

IUPACN-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-3-7-14-24-23(29)20-12-15-26(16-13-20)22(28)11-10-19-17-25-27(18-19)21-8-5-4-6-9-21/h4-6,8-9,17-18,20H,2-3,7,10-16H2,1H3,(H,24,29)
InChIKeySMWAZYBVBVPEJS-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.35
Rot. Bonds9

About N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide

N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 55717821) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
PubChem CID55717821
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-3-7-14-24-23(29)20-12-15-26(16-13-20)22(28)11-10-19-17-25-27(18-19)21-8-5-4-6-9-21/h4-6,8-9,17-18,20H,2-3,7,10-16H2,1H3,(H,24,29)
InChIKeySMWAZYBVBVPEJS-UHFFFAOYSA-N
XLogP3.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
2-[3-[4-(butylcarbamoyl)piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 120691836
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246
1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119635459
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
CID 31517544
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-butyl-1-(1-phenyltriazole-4-carbonyl)piperidine-4-carboxamide
CID 86829243
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide (CID 55717821) is N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is SMWAZYBVBVPEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-3-7-14-24-23(29)20-12-15-26(16-13-20)22(28)11-10-19-17-25-27(18-19)21-8-5-4-6-9-21/h4-6,8-9,17-18,20H,2-3,7,10-16H2,1H3,(H,24,29).
What are the key properties of N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide?
N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55717821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).