4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide

C16H27N5O2 — CID 136512774

IUPAC4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCn1cccn1)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C16H27N5O2/c22-16(17-4-1-6-21-7-2-5-18-21)20-10-8-19(9-11-20)13-15-3-12-23-14-15/h2,5,7,15H,1,3-4,6,8-14H2,(H,17,22)
InChIKeyTUGIPTQJCVIHGK-UHFFFAOYSA-N
MW321.42 g/mol
LogP0.64
Rot. Bonds6

About 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide

4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide (PubChem CID 136512774) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
PubChem CID136512774
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC Name4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
SMILESO=C(NCCCn1cccn1)N1CCN(CC2CCOC2)CC1
InChIInChI=1S/C16H27N5O2/c22-16(17-4-1-6-21-7-2-5-18-21)20-10-8-19(9-11-20)13-15-3-12-23-14-15/h2,5,7,15H,1,3-4,6,8-14H2,(H,17,22)
InChIKeyTUGIPTQJCVIHGK-UHFFFAOYSA-N
XLogP0.64
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
(4S)-2-oxo-3-(oxolan-3-ylmethyl)-N-(2-pyrazol-1-ylethyl)-1,3-oxazolidine-4-carboxamide
CID 50851320
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 126451762
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-pyrazol-1-ylbutanamide
CID 91797838
N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 97076083
(5S)-5-hydroxy-N-(2-pyrazol-1-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 126453764
N-(6-ethoxy-3-pyridinyl)-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 126781942
1-methyl-5-(oxolan-3-ylmethyl)-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine
CID 134689340

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide (CID 136512774) is 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide is O=C(NCCCn1cccn1)N1CCN(CC2CCOC2)CC1.
What is the InChIKey of 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
The InChIKey is TUGIPTQJCVIHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c22-16(17-4-1-6-21-7-2-5-18-21)20-10-8-19(9-11-20)13-15-3-12-23-14-15/h2,5,7,15H,1,3-4,6,8-14H2,(H,17,22).
What are the key properties of 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide?
4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-ylmethyl)-N-(3-pyrazol-1-ylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 136512774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).