[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone

C18H28N4O2 — CID 56802486

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
SMILESCC(O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(23)14-20-10-12-22(13-11-20)18(24)16-6-5-7-19-17(16)21-8-3-2-4-9-21/h5-7,15,23H,2-4,8-14H2,1H3
InChIKeyFAUYIKZQIOCLNL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.21
Rot. Bonds4

About [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone

[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 56802486) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID56802486
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
SMILESCC(O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1
InChIInChI=1S/C18H28N4O2/c1-15(23)14-20-10-12-22(13-11-20)18(24)16-6-5-7-19-17(16)21-8-3-2-4-9-21/h5-7,15,23H,2-4,8-14H2,1H3
InChIKeyFAUYIKZQIOCLNL-UHFFFAOYSA-N
XLogP1.21
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825
ethyl 4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazine-1-carboxylate
CID 84574983
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
(2-bromophenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779831
[2-(azepan-1-yl)-3-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 84576964
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
[4-(4-fluorophenyl)piperazin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575308
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133452313

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone (CID 56802486) is [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone is CC(O)CN1CCN(C(=O)c2cccnc2N2CCCCC2)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is FAUYIKZQIOCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-15(23)14-20-10-12-22(13-11-20)18(24)16-6-5-7-19-17(16)21-8-3-2-4-9-21/h5-7,15,23H,2-4,8-14H2,1H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone?
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 332.45 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 56802486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).