tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate

C19H26N4O3 — CID 52761217

IUPACtert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-11-13-7-6-10-23(12-13)17(24)16-14-8-4-5-9-15(14)21-22-16/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeySFIVOSILZOLVNU-CYBMUJFWSA-N
MW358.44 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate

tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate (PubChem CID 52761217) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
PubChem CID52761217
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-11-13-7-6-10-23(12-13)17(24)16-14-8-4-5-9-15(14)21-22-16/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,25)(H,21,22)/t13-/m1/s1
InChIKeySFIVOSILZOLVNU-CYBMUJFWSA-N
XLogP2.94
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-4-(1H-indazole-3-carbonyl)piperazine-1-carboxamide
CID 155946339
tert-butyl N-[[(3R)-1-(2,6-difluorobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007691
methyl (3S)-1-(1H-indazole-3-carbonyl)piperidine-3-carboxylate
CID 78918912
tert-butyl N-[[1-[4-(1H-indazole-3-carbonylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 70000692
1H-indazol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 56820766
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
tert-butyl N-[[(3R)-1-(1H-indole-2-carbonyl)pyrrolidin-3-yl]methyl]carbamate
CID 96548725
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
methyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 141463922
tert-butyl N-[[(3S)-1-(3-methyl-2-nitrobenzoyl)piperidin-3-yl]methyl]carbamate
CID 97007330
N-[1-(1H-indazole-3-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079181
6-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 124975865

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate (CID 52761217) is tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc23)C1.
What is the InChIKey of tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate?
The InChIKey is SFIVOSILZOLVNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-11-13-7-6-10-23(12-13)17(24)16-14-8-4-5-9-15(14)21-22-16/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,25)(H,21,22)/t13-/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-1-(1H-indazole-3-carbonyl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 52761217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).