methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate

C13H24N4O3 — CID 166312025

IUPACmethyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)N[C@H]2CCN[C@@H]2C)C1
InChIInChI=1S/C13H24N4O3/c1-9-11(5-6-14-9)16-12(18)15-10-4-3-7-17(8-10)13(19)20-2/h9-11,14H,3-8H2,1-2H3,(H2,15,16,18)/t9-,10?,11+/m1/s1
InChIKeyHHKQOOGAEXESGT-FBKFWFMHSA-N
MW284.36 g/mol
LogP0.27
Rot. Bonds2

About methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate

methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 166312025) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate
PubChem CID166312025
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Namemethyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NC(=O)N[C@H]2CCN[C@@H]2C)C1
InChIInChI=1S/C13H24N4O3/c1-9-11(5-6-14-9)16-12(18)15-10-4-3-7-17(8-10)13(19)20-2/h9-11,14H,3-8H2,1-2H3,(H2,15,16,18)/t9-,10?,11+/m1/s1
InChIKeyHHKQOOGAEXESGT-FBKFWFMHSA-N
XLogP0.27
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-ethylcyclohexyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 86882343
methyl (3S)-3-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamoylamino]piperidine-1-carboxylate
CID 99845884
methyl 3-[(1-cyclopentyl-2-hydroxyethoxy)carbamoylamino]piperidine-1-carboxylate
CID 154785811
3-methyl-N-(2-methylpiperidin-3-yl)piperidine-1-carboxamide
CID 79159344
methyl (3S)-3-[(4-cyanophenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 95637606
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
methyl (3S)-3-[[(2R)-2-methoxy-2-phenylethyl]carbamoylamino]piperidine-1-carboxylate
CID 95637616
methyl 3-butan-2-ylpiperidine-1-carboxylate
CID 171824675
methyl (3R)-3-[[(3R)-1-cyclopropylpyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97062619
methyl 4-[[(1S,3R)-3-methylcyclohexyl]carbamoylamino]piperidine-1-carboxylate
CID 94824655
methyl 3-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]piperidine-1-carboxylate
CID 56823506
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate (CID 166312025) is methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate is COC(=O)N1CCCC(NC(=O)N[C@H]2CCN[C@@H]2C)C1.
What is the InChIKey of methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is HHKQOOGAEXESGT-FBKFWFMHSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-9-11(5-6-14-9)16-12(18)15-10-4-3-7-17(8-10)13(19)20-2/h9-11,14H,3-8H2,1-2H3,(H2,15,16,18)/t9-,10?,11+/m1/s1.
What are the key properties of methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate?
methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2R,3S)-2-methylpyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 166312025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).