tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate

C18H30N2O3 — CID 97221337

IUPACtert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C18H30N2O3/c1-18(2,3)23-17(22)19-11-12-7-4-5-10-20(12)16(21)15-13-8-6-9-14(13)15/h12-15H,4-11H2,1-3H3,(H,19,22)/t12-,13-,14+,15?/m1/s1
InChIKeyPHRKUSSRBGMNDQ-JKXDFHQYSA-N
MW322.45 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate (PubChem CID 97221337) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate
PubChem CID97221337
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)C1[C@H]2CCC[C@@H]12
InChIInChI=1S/C18H30N2O3/c1-18(2,3)23-17(22)19-11-12-7-4-5-10-20(12)16(21)15-13-8-6-9-14(13)15/h12-15H,4-11H2,1-3H3,(H,19,22)/t12-,13-,14+,15?/m1/s1
InChIKeyPHRKUSSRBGMNDQ-JKXDFHQYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
tert-butyl N-[(1-cyclopropylpiperidin-2-yl)methyl]carbamate
CID 175669782
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
tert-butyl N-[(1-methylsulfonylpiperidin-2-yl)methyl]carbamate
CID 59478990
6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649432
tert-butyl N-[[(2R)-1-cyclobutylpyrrolidin-2-yl]methyl]carbamate
CID 10800963
tert-butyl N-[[(2R)-1-cyclohexylpyrrolidin-2-yl]methyl]carbamate
CID 10684329
tert-butyl N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]carbamate
CID 60606736
tert-butyl 2-[(methylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 47442439
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl (2R)-1-(bicyclo[3.1.0]hexane-6-carbonyl)pyrrolidine-2-carboxylate
CID 81002521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate (CID 97221337) is tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)C1[C@H]2CCC[C@@H]12.
What is the InChIKey of tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is PHRKUSSRBGMNDQ-JKXDFHQYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-18(2,3)23-17(22)19-11-12-7-4-5-10-20(12)16(21)15-13-8-6-9-14(13)15/h12-15H,4-11H2,1-3H3,(H,19,22)/t12-,13-,14+,15?/m1/s1.
What are the key properties of tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R)-1-[(1R,5S)-bicyclo[3.1.0]hexane-6-carbonyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 97221337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).