2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone

C22H32N4O — CID 171359135

IUPAC2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1CCC1CCN(C(=O)Cc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C22H32N4O/c1-17-4-2-3-10-25(17)11-7-18-8-12-26(13-9-18)22(27)15-19-5-6-21-20(14-19)16-23-24-21/h5-6,14,16-18H,2-4,7-13,15H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyVMDGNVJVUPWVNM-KRWDZBQOSA-N
MW368.53 g/mol
LogP3.61
Rot. Bonds5

About 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone

2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone (PubChem CID 171359135) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone
PubChem CID171359135
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone
SMILESC[C@H]1CCCCN1CCC1CCN(C(=O)Cc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C22H32N4O/c1-17-4-2-3-10-25(17)11-7-18-8-12-26(13-9-18)22(27)15-19-5-6-21-20(14-19)16-23-24-21/h5-6,14,16-18H,2-4,7-13,15H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyVMDGNVJVUPWVNM-KRWDZBQOSA-N
XLogP3.61
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone (CID 171359135) is 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone is C[C@H]1CCCCN1CCC1CCN(C(=O)Cc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone?
The InChIKey is VMDGNVJVUPWVNM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-4-2-3-10-25(17)11-7-18-8-12-26(13-9-18)22(27)15-19-5-6-21-20(14-19)16-23-24-21/h5-6,14,16-18H,2-4,7-13,15H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone?
2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone has a molecular weight of 368.53 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 171359135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).