methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate

C19H30N2O4 — CID 52514979

IUPACmethyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC(C)CC1
InChIInChI=1S/C19H30N2O4/c1-13-7-9-19(10-8-13,18(24)25-2)20-16(22)15-4-3-11-21(12-15)17(23)14-5-6-14/h13-15H,3-12H2,1-2H3,(H,20,22)/t13?,15-,19?/m1/s1
InChIKeyBHDGDUXBDVHOLD-SHBDPFAUSA-N
MW350.46 g/mol
LogP1.87
Rot. Bonds4

About methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate

methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate (PubChem CID 52514979) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
PubChem CID52514979
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Namemethyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC(C)CC1
InChIInChI=1S/C19H30N2O4/c1-13-7-9-19(10-8-13,18(24)25-2)20-16(22)15-4-3-11-21(12-15)17(23)14-5-6-14/h13-15H,3-12H2,1-2H3,(H,20,22)/t13?,15-,19?/m1/s1
InChIKeyBHDGDUXBDVHOLD-SHBDPFAUSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl 1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 55981314
methyl 1-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55808782
2-[1-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]cyclopropyl]acetic acid
CID 167826404
ethyl 2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-1,3-dihydroindene-2-carboxylate
CID 71934706
cyclopropyl-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 80702617
1-(cyclopropanecarbonyl)-N-[(1-propylcyclopropyl)methyl]piperidine-3-carboxamide
CID 71919155
N-(2-amino-2-oxoethoxy)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 112550543
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
2-[[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 43170581
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate (CID 52514979) is methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate is COC(=O)C1(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)CCC(C)CC1.
What is the InChIKey of methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate?
The InChIKey is BHDGDUXBDVHOLD-SHBDPFAUSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-13-7-9-19(10-8-13,18(24)25-2)20-16(22)15-4-3-11-21(12-15)17(23)14-5-6-14/h13-15H,3-12H2,1-2H3,(H,20,22)/t13?,15-,19?/m1/s1.
What are the key properties of methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate?
methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(3R)-1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]-4-methylcyclohexane-1-carboxylate is sourced from PubChem (CID 52514979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).