ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate

C11H21N3O3 — CID 43607361

IUPACethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)C1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-3-17-11(16)13-10(15)8-14(2)9-4-6-12-7-5-9/h9,12H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyRXGSQKHDMKFVKA-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.06
Rot. Bonds4

About ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate

ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate (PubChem CID 43607361) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
PubChem CID43607361
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nameethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN(C)C1CCNCC1
InChIInChI=1S/C11H21N3O3/c1-3-17-11(16)13-10(15)8-14(2)9-4-6-12-7-5-9/h9,12H,3-8H2,1-2H3,(H,13,15,16)
InChIKeyRXGSQKHDMKFVKA-UHFFFAOYSA-N
XLogP-0.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
N-(cyclopropylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913095
N-(cyclopropylmethyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913473
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
2-[methyl-[2-[methyl(piperidin-4-yl)amino]acetyl]amino]-N-propylacetamide;hydrochloride
CID 119913381
N-(4-ethoxyphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607524
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
2-[cyclopropylmethyl-[2-(ethoxycarbonylamino)-2-oxoethyl]amino]acetic acid
CID 43656480

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate (CID 43607361) is ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate is CCOC(=O)NC(=O)CN(C)C1CCNCC1.
What is the InChIKey of ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate?
The InChIKey is RXGSQKHDMKFVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-17-11(16)13-10(15)8-14(2)9-4-6-12-7-5-9/h9,12H,3-8H2,1-2H3,(H,13,15,16).
What are the key properties of ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate?
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate is sourced from PubChem (CID 43607361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).