methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate

C11H21N3O3 — CID 110822365

IUPACmethyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C11H21N3O3/c1-8(2)12-10(15)14-6-4-9(5-7-14)13-11(16)17-3/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeySYHMPISGCVOIRY-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.92
Rot. Bonds2

About methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate

methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate (PubChem CID 110822365) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
PubChem CID110822365
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C11H21N3O3/c1-8(2)12-10(15)14-6-4-9(5-7-14)13-11(16)17-3/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeySYHMPISGCVOIRY-UHFFFAOYSA-N
XLogP0.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutanoylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 110822375
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
sodium (2S)-3-methyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]amino]butanoate
CID 70084946
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-[[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822362
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
methyl N-cyclohexadecylcarbamate
CID 131977131
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate (CID 110822365) is methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)NC(C)C)CC1.
What is the InChIKey of methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate?
The InChIKey is SYHMPISGCVOIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-8(2)12-10(15)14-6-4-9(5-7-14)13-11(16)17-3/h8-9H,4-7H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate?
methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110822365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).