2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C19H26N4O2 — CID 129008465

IUPAC2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)C1OCCCC1C(=O)N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C19H26N4O2/c1-14(2)17-16(6-4-12-25-17)19(24)23-10-8-22(9-11-23)18-15(13-20)5-3-7-21-18/h3,5,7,14,16-17H,4,6,8-12H2,1-2H3
InChIKeyJPWCXKCBJQNHNO-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.05
Rot. Bonds3

About 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 129008465) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID129008465
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(C)C1OCCCC1C(=O)N1CCN(c2ncccc2C#N)CC1
InChIInChI=1S/C19H26N4O2/c1-14(2)17-16(6-4-12-25-17)19(24)23-10-8-22(9-11-23)18-15(13-20)5-3-7-21-18/h3,5,7,14,16-17H,4,6,8-12H2,1-2H3
InChIKeyJPWCXKCBJQNHNO-UHFFFAOYSA-N
XLogP2.05
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R,3R)-2-propan-2-yloxan-3-yl]methanone
CID 129492508
2-[4-[2-[4-(3-cyano-2-pyridinyl)-1,4-diazepane-1-carbonyl]cyclopropanecarbonyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 166194097
2-[4-[2-[(2S)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 94625700
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
2-[4-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55456552
2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812129
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
4-(3-cyano-2-pyridinyl)-N-(3,3-difluorocyclohexyl)piperazine-1-carboxamide
CID 136516128
2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 56789597
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 72844348

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 129008465) is 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is CC(C)C1OCCCC1C(=O)N1CCN(c2ncccc2C#N)CC1.
What is the InChIKey of 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is JPWCXKCBJQNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)17-16(6-4-12-25-17)19(24)23-10-8-22(9-11-23)18-15(13-20)5-3-7-21-18/h3,5,7,14,16-17H,4,6,8-12H2,1-2H3.
What are the key properties of 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 342.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-yloxane-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 129008465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).