[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

C25H35N5O2 — CID 78852026

IUPAC[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2cnccn2)CC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C25H35N5O2/c31-23(21-1-5-28(6-2-21)22-17-26-3-4-27-22)29-7-9-30(10-8-29)24(32)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-4,17-21H,1-2,5-16H2
InChIKeyKRXFDJQOCKSHOX-UHFFFAOYSA-N
MW437.59 g/mol
LogP2.58
Rot. Bonds3

About [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone

[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone (PubChem CID 78852026) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
PubChem CID78852026
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(c2cnccn2)CC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C25H35N5O2/c31-23(21-1-5-28(6-2-21)22-17-26-3-4-27-22)29-7-9-30(10-8-29)24(32)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-4,17-21H,1-2,5-16H2
InChIKeyKRXFDJQOCKSHOX-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminocyclopentyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 66009185
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55575285
[(5S,7S)-3-(4-methoxyphenyl)-1-adamantyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 98606495
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 155510142
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 120632592
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 17415697
morpholin-4-yl-(1-pyrazin-2-ylazetidin-3-yl)methanone
CID 163352710
(2-methylpiperidin-1-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 171473302
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 134053570

Frequently Asked Questions

What is the IUPAC name of [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
The IUPAC name of [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone (CID 78852026) is [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone.
What is the SMILES notation for [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
The canonical SMILES for [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone is O=C(C1CCN(c2cnccn2)CC1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
The InChIKey is KRXFDJQOCKSHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c31-23(21-1-5-28(6-2-21)22-17-26-3-4-27-22)29-7-9-30(10-8-29)24(32)25-14-18-11-19(15-25)13-20(12-18)16-25/h3-4,17-21H,1-2,5-16H2.
What are the key properties of [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone?
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone has a molecular weight of 437.59 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(adamantane-1-carbonyl)piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone is sourced from PubChem (CID 78852026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).