2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone

C20H22ClN5O — CID 16662116

IUPAC2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O/c21-15-3-1-2-13(10-15)19(22)20(27)26-8-6-16(7-9-26)24-17-4-5-18-14(11-17)12-23-25-18/h1-5,10-12,16,19,24H,6-9,22H2,(H,23,25)
InChIKeyIRCMQFHWDQBWEZ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone

2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone (PubChem CID 16662116) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone
PubChem CID16662116
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone
SMILESNC(C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN5O/c21-15-3-1-2-13(10-15)19(22)20(27)26-8-6-16(7-9-26)24-17-4-5-18-14(11-17)12-23-25-18/h1-5,10-12,16,19,24H,6-9,22H2,(H,23,25)
InChIKeyIRCMQFHWDQBWEZ-UHFFFAOYSA-N
XLogP3.32
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone (CID 16662116) is 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone is NC(C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone?
The InChIKey is IRCMQFHWDQBWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c21-15-3-1-2-13(10-15)19(22)20(27)26-8-6-16(7-9-26)24-17-4-5-18-14(11-17)12-23-25-18/h1-5,10-12,16,19,24H,6-9,22H2,(H,23,25).
What are the key properties of 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone?
2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone has a molecular weight of 383.88 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chlorophenyl)-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 16662116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).