3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide

C25H29N5O4 — CID 71003618

IUPAC3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide
SMILESO=C1OCC(CCNC(=O)c2cccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)c2)O1
InChIInChI=1S/C25H29N5O4/c31-24(26-9-8-22-16-33-25(32)34-22)18-4-1-3-17(11-18)14-30-10-2-5-21(15-30)28-20-6-7-23-19(12-20)13-27-29-23/h1,3-4,6-7,11-13,21-22,28H,2,5,8-10,14-16H2,(H,26,31)(H,27,29)
InChIKeySDADWMHUEWJUCD-UHFFFAOYSA-N
MW463.54 g/mol
LogP3.29
Rot. Bonds8

About 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide

3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide (PubChem CID 71003618) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide
PubChem CID71003618
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide
SMILESO=C1OCC(CCNC(=O)c2cccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)c2)O1
InChIInChI=1S/C25H29N5O4/c31-24(26-9-8-22-16-33-25(32)34-22)18-4-1-3-17(11-18)14-30-10-2-5-21(15-30)28-20-6-7-23-19(12-20)13-27-29-23/h1,3-4,6-7,11-13,21-22,28H,2,5,8-10,14-16H2,(H,26,31)(H,27,29)
InChIKeySDADWMHUEWJUCD-UHFFFAOYSA-N
XLogP3.29
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[(3R)-1-[(3-ethynylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599558
N-[1-[[3-(methylsulfonylmethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 25009015
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]benzenesulfinamide
CID 143915550
2-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenoxy]ethyl benzoate
CID 66716183
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 57446055
methyl 4-[2-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]anilino]-2-oxoethyl]benzoate
CID 90152271
N-[1-[[3-(methylsulfanylamino)phenyl]methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 143703811
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 25010600
N-[3-[[(3R)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]-N-methylmethanesulfonamide
CID 58022548
N-[5-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-2-methylphenyl]methanesulfinamide
CID 143919543

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide?
The IUPAC name of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide (CID 71003618) is 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide?
The canonical SMILES for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide is O=C1OCC(CCNC(=O)c2cccc(CN3CCCC(Nc4ccc5[nH]ncc5c4)C3)c2)O1.
What is the InChIKey of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide?
The InChIKey is SDADWMHUEWJUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4/c31-24(26-9-8-22-16-33-25(32)34-22)18-4-1-3-17(11-18)14-30-10-2-5-21(15-30)28-20-6-7-23-19(12-20)13-27-29-23/h1,3-4,6-7,11-13,21-22,28H,2,5,8-10,14-16H2,(H,26,31)(H,27,29).
What are the key properties of 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide?
3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide has a molecular weight of 463.54 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]-N-[2-(2-oxo-1,3-dioxolan-4-yl)ethyl]benzamide is sourced from PubChem (CID 71003618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).