N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide

C22H27N5O — CID 25008496

IUPACN-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C22H27N5O/c1-16(28)23-12-17-4-2-5-18(10-17)14-27-9-3-6-21(15-27)25-20-7-8-22-19(11-20)13-24-26-22/h2,4-5,7-8,10-11,13,21,25H,3,6,9,12,14-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyCDKZHWZCXRRPDX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.28
Rot. Bonds6

About N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide

N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide (PubChem CID 25008496) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide
PubChem CID25008496
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C22H27N5O/c1-16(28)23-12-17-4-2-5-18(10-17)14-27-9-3-6-21(15-27)25-20-7-8-22-19(11-20)13-24-26-22/h2,4-5,7-8,10-11,13,21,25H,3,6,9,12,14-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyCDKZHWZCXRRPDX-UHFFFAOYSA-N
XLogP3.28
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide (CID 25008496) is N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
The InChIKey is CDKZHWZCXRRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-16(28)23-12-17-4-2-5-18(10-17)14-27-9-3-6-21(15-27)25-20-7-8-22-19(11-20)13-24-26-22/h2,4-5,7-8,10-11,13,21,25H,3,6,9,12,14-15H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide?
N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 25008496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).