2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate

C10H19N3O3 — CID 104597200

IUPAC2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
SMILESCC1(C(=O)NCCOC(N)=O)CCCCN1
InChIInChI=1S/C10H19N3O3/c1-10(4-2-3-5-13-10)8(14)12-6-7-16-9(11)15/h13H,2-7H2,1H3,(H2,11,15)(H,12,14)
InChIKeyBQKRYWKJKFSRIP-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.27
Rot. Bonds4

About 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate

2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate (PubChem CID 104597200) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
PubChem CID104597200
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
SMILESCC1(C(=O)NCCOC(N)=O)CCCCN1
InChIInChI=1S/C10H19N3O3/c1-10(4-2-3-5-13-10)8(14)12-6-7-16-9(11)15/h13H,2-7H2,1H3,(H2,11,15)(H,12,14)
InChIKeyBQKRYWKJKFSRIP-UHFFFAOYSA-N
XLogP-0.27
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl (R)-(4-methyl-1-morpholino-1-oxopentan-2-yl)carbamate
CID 28367626
tert-butyl (S)-(4-(7-oxo-2-oxa-5,8-diazaspiro[3.5]nonan-6-yl)butyl)carbamate
CID 124249355
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylpiperidine-2-carboxamide
CID 105909990
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide
CID 113368572
2-[[5-(Trifluoromethyl)piperidine-2-carbonyl]amino]ethyl carbamate
CID 114908971
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 120289915
tert-Butyl (S)-(4-methyl-1-morpholino-1-oxopentan-2-yl)carbamate
CID 11055696
N-(2-methoxyethyl)piperidine-2-carboxamide
CID 18072044
Methyl 2-[(1-methylpiperidine-2-carbonyl)amino]acetate
CID 20607171
ethyl N-[1-(4-acetylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 20716094
tert-butyl N-[6-amino-1-(2-methoxyethylamino)-1-oxohexan-2-yl]carbamate
CID 22089223
tert-butyl N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 22911138

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate (CID 104597200) is 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate is CC1(C(=O)NCCOC(N)=O)CCCCN1.
What is the InChIKey of 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate?
The InChIKey is BQKRYWKJKFSRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(4-2-3-5-13-10)8(14)12-6-7-16-9(11)15/h13H,2-7H2,1H3,(H2,11,15)(H,12,14).
What are the key properties of 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate?
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate has a molecular weight of 229.28 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate is sourced from PubChem (CID 104597200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).