2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone

C24H30N4O4 — CID 25280317

IUPAC2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)CC1
InChIInChI=1S/C24H30N4O4/c1-31-18-23(29)27-12-9-21(10-13-27)32-20-7-5-19(6-8-20)24(30)28-16-14-26(15-17-28)22-4-2-3-11-25-22/h2-8,11,21H,9-10,12-18H2,1H3
InChIKeyACGMUHTYUHNJGY-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.06
Rot. Bonds6

About 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone

2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone (PubChem CID 25280317) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
PubChem CID25280317
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)CC1
InChIInChI=1S/C24H30N4O4/c1-31-18-23(29)27-12-9-21(10-13-27)32-20-7-5-19(6-8-20)24(30)28-16-14-26(15-17-28)22-4-2-3-11-25-22/h2-8,11,21H,9-10,12-18H2,1H3
InChIKeyACGMUHTYUHNJGY-UHFFFAOYSA-N
XLogP2.06
TPSA75.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]methanone
CID 42194632
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
3-[1-(4-methoxybenzoyl)piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 24817468
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
1-[1-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]piperidin-3-yl]propan-1-one
CID 70756480
2-methoxy-1-[4-[4-[(3R)-3-propoxypiperidine-1-carbonyl]phenoxy]piperidin-1-yl]ethanone
CID 42306322
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 24791385
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone (CID 25280317) is 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone is COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone?
The InChIKey is ACGMUHTYUHNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-31-18-23(29)27-12-9-21(10-13-27)32-20-7-5-19(6-8-20)24(30)28-16-14-26(15-17-28)22-4-2-3-11-25-22/h2-8,11,21H,9-10,12-18H2,1H3.
What are the key properties of 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone?
2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 25280317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).