methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate

C16H26N2O3 — CID 99833134

IUPACmethyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(C(=O)NCC2(C3CC3)CC2)C[C@H]1C
InChIInChI=1S/C16H26N2O3/c1-11-9-18(8-5-13(11)14(19)21-2)15(20)17-10-16(6-7-16)12-3-4-12/h11-13H,3-10H2,1-2H3,(H,17,20)/t11-,13-/m1/s1
InChIKeyKSFQWOQXYVWHMV-DGCLKSJQSA-N
MW294.39 g/mol
LogP2.02
Rot. Bonds4

About methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate

methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate (PubChem CID 99833134) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate
PubChem CID99833134
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(C(=O)NCC2(C3CC3)CC2)C[C@H]1C
InChIInChI=1S/C16H26N2O3/c1-11-9-18(8-5-13(11)14(19)21-2)15(20)17-10-16(6-7-16)12-3-4-12/h11-13H,3-10H2,1-2H3,(H,17,20)/t11-,13-/m1/s1
InChIKeyKSFQWOQXYVWHMV-DGCLKSJQSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-acetyl-3-methylpiperidine-4-carboxylate
CID 175131976
4-[(4-methoxycarbonyl-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024211
methyl (3R,4R)-1-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate
CID 99830809
2-[1-[[(3-methoxypyrrolidine-1-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 103536134
N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 128999875
1-[[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434458
methyl (3S,4R)-3-methyl-1-(2-methylfuran-3-carbonyl)piperidine-4-carboxylate
CID 99859108
methyl (3R,4S)-1-(furan-3-carbonyl)-3-methylpiperidine-4-carboxylate
CID 99794318
methyl (3S,4R)-3-methyl-1-[(3-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 100691228
3-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 114278565
N-[(1-cyclopropylcyclobutyl)methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 75477048
methyl (3S,4S)-3-methyl-1-(pyridine-2-carbonyl)piperidine-4-carboxylate
CID 99834690

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate?
The IUPAC name of methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate (CID 99833134) is methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate is COC(=O)[C@@H]1CCN(C(=O)NCC2(C3CC3)CC2)C[C@H]1C.
What is the InChIKey of methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate?
The InChIKey is KSFQWOQXYVWHMV-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-9-18(8-5-13(11)14(19)21-2)15(20)17-10-16(6-7-16)12-3-4-12/h11-13H,3-10H2,1-2H3,(H,17,20)/t11-,13-/m1/s1.
What are the key properties of methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate?
methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-1-[(1-cyclopropylcyclopropyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate is sourced from PubChem (CID 99833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).