tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate

C14H27N3O3 — CID 95321341

IUPACtert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
SMILESC[C@@H]1CCCCN1C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-11-7-5-6-10-17(11)12(18)15-8-9-16-13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)(H,16,19)/t11-/m1/s1
InChIKeyKEDHHNISDRAUPZ-LLVKDONJSA-N
MW285.39 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate

tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate (PubChem CID 95321341) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
PubChem CID95321341
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nametert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
SMILESC[C@@H]1CCCCN1C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-11-7-5-6-10-17(11)12(18)15-8-9-16-13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)(H,16,19)/t11-/m1/s1
InChIKeyKEDHHNISDRAUPZ-LLVKDONJSA-N
XLogP2.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
N-(cyclohexylmethyl)-2-methylpiperidine-1-carboxamide
CID 108902901
2-methyl-N-prop-2-ynylpyrrolidine-1-carboxamide
CID 130614788
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
tert-butyl N-[[4-(2-methylpiperidine-1-carbonyl)phenyl]methyl]carbamate
CID 24537576
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
tert-butyl N-[2-[(4-methylcyclohexyl)amino]ethyl]carbamate
CID 103653351
tert-butyl N-[3-[[(2R)-1-[3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropyl]piperidin-2-yl]methylamino]-3-oxopropyl]carbamate
CID 99786774
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
CID 107241432

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate (CID 95321341) is tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate is C[C@@H]1CCCCN1C(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate?
The InChIKey is KEDHHNISDRAUPZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11-7-5-6-10-17(11)12(18)15-8-9-16-13(19)20-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)(H,16,19)/t11-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 95321341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).