cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone

C25H30N4O3 — CID 42194632

IUPACcyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H30N4O3/c30-24(19-4-5-19)28-13-10-22(11-14-28)32-21-8-6-20(7-9-21)25(31)29-17-15-27(16-18-29)23-3-1-2-12-26-23/h1-3,6-9,12,19,22H,4-5,10-11,13-18H2
InChIKeyRVKVOMSJLUYJAG-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.82
Rot. Bonds5

About cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone

cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone (PubChem CID 42194632) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
PubChem CID42194632
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Namecyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
SMILESO=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H30N4O3/c30-24(19-4-5-19)28-13-10-22(11-14-28)32-21-8-6-20(7-9-21)25(31)29-17-15-27(16-18-29)23-3-1-2-12-26-23/h1-3,6-9,12,19,22H,4-5,10-11,13-18H2
InChIKeyRVKVOMSJLUYJAG-UHFFFAOYSA-N
XLogP2.82
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
CID 25280317
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
[4-(4-chlorophenoxy)piperidin-1-yl]-(6-piperidin-1-yl-3-pyridinyl)methanone
CID 67168008
4-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperazin-2-one
CID 72845459
oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
[6-(oxolan-3-yloxy)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91815187
6-[4-[4-(pyrrolidine-1-carbonyl)phenoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 72855974
[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109154550
cyclopropyl-[4-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42466727
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone (CID 42194632) is cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone is O=C(c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
The InChIKey is RVKVOMSJLUYJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24(19-4-5-19)28-13-10-22(11-14-28)32-21-8-6-20(7-9-21)25(31)29-17-15-27(16-18-29)23-3-1-2-12-26-23/h1-3,6-9,12,19,22H,4-5,10-11,13-18H2.
What are the key properties of cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone?
cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone has a molecular weight of 434.54 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 42194632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).