2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile

C16H20N4O2 — CID 95573247

IUPAC2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCCO[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-10-13(14)16(21)20-7-5-19(6-8-20)15-9-12(11-17)3-4-18-15/h3-4,9,13-14H,2,5-8,10H2,1H3/t13-,14+/m0/s1
InChIKeyGLBYAPZKUDWDBM-UONOGXRCSA-N
MW300.36 g/mol
LogP1.03
Rot. Bonds4

About 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 95573247) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID95573247
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCCO[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1
InChIInChI=1S/C16H20N4O2/c1-2-22-14-10-13(14)16(21)20-7-5-19(6-8-20)15-9-12(11-17)3-4-18-15/h3-4,9,13-14H,2,5-8,10H2,1H3/t13-,14+/m0/s1
InChIKeyGLBYAPZKUDWDBM-UONOGXRCSA-N
XLogP1.03
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[(1S,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 95588243
2-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 56820315
2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 119112234
4-(4-cyano-2-pyridinyl)-N-[[(1R,2S)-2-methylcyclopropyl]methyl]piperazine-1-carboxamide
CID 94125172
4-[[4-[(1S,2S)-2-ethoxycyclopropanecarbonyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 95572237
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-(3-ethoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 54989758
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
2-[4-[4-(ethylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55890411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 95573247) is 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile is CCO[C@@H]1C[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is GLBYAPZKUDWDBM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-2-22-14-10-13(14)16(21)20-7-5-19(6-8-20)15-9-12(11-17)3-4-18-15/h3-4,9,13-14H,2,5-8,10H2,1H3/t13-,14+/m0/s1.
What are the key properties of 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S,2R)-2-ethoxycyclopropanecarbonyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95573247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).