1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C23H30N4O2 — CID 42519173

IUPAC1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-22-9-3-2-8-21(22)26-14-12-25(13-15-26)20-7-5-11-27(18-20)23(28)16-19-6-4-10-24-17-19/h2-4,6,8-10,17,20H,5,7,11-16,18H2,1H3/t20-/m1/s1
InChIKeyVTOIAYSTIOZQLN-HXUWFJFHSA-N
MW394.52 g/mol
LogP2.45
Rot. Bonds5

About 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 42519173) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID42519173
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCOc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-22-9-3-2-8-21(22)26-14-12-25(13-15-26)20-7-5-11-27(18-20)23(28)16-19-6-4-10-24-17-19/h2-4,6,8-10,17,20H,5,7,11-16,18H2,1H3/t20-/m1/s1
InChIKeyVTOIAYSTIOZQLN-HXUWFJFHSA-N
XLogP2.45
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 45249744
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 42287191
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 24791105
3-(3-fluorophenyl)-1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45200463
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 42532617

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 42519173) is 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is COc1ccccc1N1CCN([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)CC1.
What is the InChIKey of 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is VTOIAYSTIOZQLN-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-22-9-3-2-8-21(22)26-14-12-25(13-15-26)20-7-5-11-27(18-20)23(28)16-19-6-4-10-24-17-19/h2-4,6,8-10,17,20H,5,7,11-16,18H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 394.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 42519173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).