[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

C23H31N5O3 — CID 42954798

IUPAC[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)C3CCCN(c4cnccn4)C3)CC2)cc1
InChIInChI=1S/C23H31N5O3/c1-30-20-4-6-21(7-5-20)31-16-15-26-11-13-27(14-12-26)23(29)19-3-2-10-28(18-19)22-17-24-8-9-25-22/h4-9,17,19H,2-3,10-16,18H2,1H3
InChIKeyLAFYCESHAHRLRD-UHFFFAOYSA-N
MW425.53 g/mol
LogP1.92
Rot. Bonds7

About [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone (PubChem CID 42954798) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
PubChem CID42954798
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)C3CCCN(c4cnccn4)C3)CC2)cc1
InChIInChI=1S/C23H31N5O3/c1-30-20-4-6-21(7-5-20)31-16-15-26-11-13-27(14-12-26)23(29)19-3-2-10-28(18-19)22-17-24-8-9-25-22/h4-9,17,19H,2-3,10-16,18H2,1H3
InChIKeyLAFYCESHAHRLRD-UHFFFAOYSA-N
XLogP1.92
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 51934537
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 42954799
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36998536
[1-(furan-2-carbonyl)piperidin-3-yl]-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 43043373
(4-methoxy-2-methylphenyl)-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 97143492
N-phenyl-2-[4-(1-pyrazin-2-ylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 43062241
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 51934504
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 32647962
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 27846376
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 129427634

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone (CID 42954798) is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone is COc1ccc(OCCN2CCN(C(=O)C3CCCN(c4cnccn4)C3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The InChIKey is LAFYCESHAHRLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-30-20-4-6-21(7-5-20)31-16-15-26-11-13-27(14-12-26)23(29)19-3-2-10-28(18-19)22-17-24-8-9-25-22/h4-9,17,19H,2-3,10-16,18H2,1H3.
What are the key properties of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone has a molecular weight of 425.53 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 42954798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).