2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C16H26N4O — CID 126451751

IUPAC2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCN1CCCC[C@@H]1CC(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H26N4O/c1-19-9-3-2-4-14(19)12-16(21)20-10-6-13(7-11-20)15-5-8-17-18-15/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyPQJKVQPYDYBPQJ-CQSZACIVSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds3

About 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 126451751) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID126451751
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCN1CCCC[C@@H]1CC(=O)N1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C16H26N4O/c1-19-9-3-2-4-14(19)12-16(21)20-10-6-13(7-11-20)15-5-8-17-18-15/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyPQJKVQPYDYBPQJ-CQSZACIVSA-N
XLogP1.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 126451751) is 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is CN1CCCC[C@@H]1CC(=O)N1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is PQJKVQPYDYBPQJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-9-3-2-4-14(19)12-16(21)20-10-6-13(7-11-20)15-5-8-17-18-15/h5,8,13-14H,2-4,6-7,9-12H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methylpiperidin-2-yl]-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).