tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate

C17H30N4O2 — CID 97086168

IUPACtert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnn(C)c2)C1
InChIInChI=1S/C17H30N4O2/c1-13(19-16(22)23-17(2,3)4)15-7-6-8-21(12-15)11-14-9-18-20(5)10-14/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyIAQMOAQPFYHTKR-UKRRQHHQSA-N
MW322.45 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate (PubChem CID 97086168) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate
PubChem CID97086168
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnn(C)c2)C1
InChIInChI=1S/C17H30N4O2/c1-13(19-16(22)23-17(2,3)4)15-7-6-8-21(12-15)11-14-9-18-20(5)10-14/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,19,22)/t13-,15-/m1/s1
InChIKeyIAQMOAQPFYHTKR-UKRRQHHQSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate with MolForge

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Related Compounds

1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate
CID 122241582
N-cyclopropyl-3-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}propanamide
CID 26336154
Tert-butyl 4-[(1-tert-butylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 56827321
tert-Butyl 4-[(4-Ethynyl-1H-pyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 139210994
tert-butyl 3-(1-methyl-1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 75422429
tert-butyl N-[2-ethyl-2-[[2-(4-methylpyrazol-1-yl)acetyl]amino]butyl]carbamate
CID 53617797
tert-butyl N-[1-[1-(2-pyrazol-1-ylethyl)piperidin-3-yl]ethyl]carbamate
CID 71853187
Tert-butyl 3-[1-[(1-propylpyrazol-4-yl)amino]ethyl]piperidine-1-carboxylate
CID 75473183
tert-butyl N-[(1-cyclopentylpyrazol-4-yl)methyl]carbamate
CID 75505809
tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
CID 99831339
Tert-butyl 3-[1-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]azetidine-1-carboxylate
CID 119040734
Tert-butyl 2-methyl-4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]piperidine-1-carboxylate
CID 126818100

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate (CID 97086168) is tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(Cc2cnn(C)c2)C1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate?
The InChIKey is IAQMOAQPFYHTKR-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-13(19-16(22)23-17(2,3)4)15-7-6-8-21(12-15)11-14-9-18-20(5)10-14/h9-10,13,15H,6-8,11-12H2,1-5H3,(H,19,22)/t13-,15-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 97086168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).