1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide

C18H29N5O2 — CID 71984965

IUPAC1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCCn1cccn1)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H29N5O2/c24-17(19-9-4-12-23-13-5-10-20-23)15-6-3-11-22(14-15)18(25)21-16-7-1-2-8-16/h5,10,13,15-16H,1-4,6-9,11-12,14H2,(H,19,24)(H,21,25)
InChIKeyMBFAOZXEUNNDMK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.75
Rot. Bonds6

About 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide

1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 71984965) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
PubChem CID71984965
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCCCn1cccn1)C1CCCN(C(=O)NC2CCCC2)C1
InChIInChI=1S/C18H29N5O2/c24-17(19-9-4-12-23-13-5-10-20-23)15-6-3-11-22(14-15)18(25)21-16-7-1-2-8-16/h5,10,13,15-16H,1-4,6-9,11-12,14H2,(H,19,24)(H,21,25)
InChIKeyMBFAOZXEUNNDMK-UHFFFAOYSA-N
XLogP1.75
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
1-N-cyclopentyl-3-N-[2-(methylamino)ethyl]piperidine-1,3-dicarboxamide
CID 119500364
(3R)-1-pyrazin-2-yl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 37392327
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
(3S)-1-N-cyclohexyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 7435336
1-acetyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72883089
N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
CID 111904839
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 96568857

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide (CID 71984965) is 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide is O=C(NCCCn1cccn1)C1CCCN(C(=O)NC2CCCC2)C1.
What is the InChIKey of 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is MBFAOZXEUNNDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c24-17(19-9-4-12-23-13-5-10-20-23)15-6-3-11-22(14-15)18(25)21-16-7-1-2-8-16/h5,10,13,15-16H,1-4,6-9,11-12,14H2,(H,19,24)(H,21,25).
What are the key properties of 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide?
1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-3-N-(3-pyrazol-1-ylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 71984965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).