N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C22H30N6O2 — CID 166409296

IUPACN-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESC#CCCC1(CCC(=O)N2CCCC(c3[nH]ncc3NC(=O)C3CCCC3)C2)N=N1
InChIInChI=1S/C22H30N6O2/c1-2-3-11-22(26-27-22)12-10-19(29)28-13-6-9-17(15-28)20-18(14-23-25-20)24-21(30)16-7-4-5-8-16/h1,14,16-17H,3-13,15H2,(H,23,25)(H,24,30)
InChIKeyUEARPFQZHVXCDM-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.60
Rot. Bonds8

About N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 166409296) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID166409296
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESC#CCCC1(CCC(=O)N2CCCC(c3[nH]ncc3NC(=O)C3CCCC3)C2)N=N1
InChIInChI=1S/C22H30N6O2/c1-2-3-11-22(26-27-22)12-10-19(29)28-13-6-9-17(15-28)20-18(14-23-25-20)24-21(30)16-7-4-5-8-16/h1,14,16-17H,3-13,15H2,(H,23,25)(H,24,30)
InChIKeyUEARPFQZHVXCDM-UHFFFAOYSA-N
XLogP3.60
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-5-carboxylic acid
CID 166430212
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344701
N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343262
N-[5-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 136521649
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-(5-cyclopropyl-1H-pyrazol-4-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126834655
3-(3-but-3-ynyldiazirin-3-yl)-1-[3-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)azetidin-1-yl]propan-1-one
CID 166409404
N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344709
3-(3-but-3-ynyldiazirin-3-yl)-1-[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]propan-1-one
CID 166419797
N-[5-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 75474232
N-[5-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343980
N-[5-[(3R)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343982

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 166409296) is N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is C#CCCC1(CCC(=O)N2CCCC(c3[nH]ncc3NC(=O)C3CCCC3)C2)N=N1.
What is the InChIKey of N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is UEARPFQZHVXCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-2-3-11-22(26-27-22)12-10-19(29)28-13-6-9-17(15-28)20-18(14-23-25-20)24-21(30)16-7-4-5-8-16/h1,14,16-17H,3-13,15H2,(H,23,25)(H,24,30).
What are the key properties of N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 166409296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).