(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide

C19H27N5O2 — CID 125007837

IUPAC(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)C
InChIInChI=1S/C19H27N5O2/c1-14(2)23-11-10-22(13-17(23)19(26)20-3)18(25)8-9-24-16-7-5-4-6-15(16)12-21-24/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,20,26)/t17-/m1/s1
InChIKeyUQOLHTGCCOZIPX-QGZVFWFLSA-N
MW357.46 g/mol
LogP1.09
Rot. Bonds5

About (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide

(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 125007837) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID125007837
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)C
InChIInChI=1S/C19H27N5O2/c1-14(2)23-11-10-22(13-17(23)19(26)20-3)18(25)8-9-24-16-7-5-4-6-15(16)12-21-24/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,20,26)/t17-/m1/s1
InChIKeyUQOLHTGCCOZIPX-QGZVFWFLSA-N
XLogP1.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(3-phenylpropanoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086048
(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124948534
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110259297
1-[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 110107960
3-indazol-1-yl-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95829634
methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate
CID 63039954
3-indazol-1-yl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]propan-1-one
CID 125020977
3-indazol-1-ylpropanoic acid
CID 805922
N-(3-indazol-1-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 72845118
3-indazol-1-ylpropanoate
CID 5147223
1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-3-indazol-1-ylpropan-1-one
CID 125022823
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide (CID 125007837) is (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CCN1C(C)C.
What is the InChIKey of (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is UQOLHTGCCOZIPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14(2)23-11-10-22(13-17(23)19(26)20-3)18(25)8-9-24-16-7-5-4-6-15(16)12-21-24/h4-7,12,14,17H,8-11,13H2,1-3H3,(H,20,26)/t17-/m1/s1.
What are the key properties of (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide?
(2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-indazol-1-ylpropanoyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 125007837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).