ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate

C18H33N3O3 — CID 60577460

IUPACethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(C)CN2CCCC(C)C2)CC1
InChIInChI=1S/C18H33N3O3/c1-4-24-17(22)16-7-10-21(11-8-16)18(23)19-15(3)13-20-9-5-6-14(2)12-20/h14-16H,4-13H2,1-3H3,(H,19,23)
InChIKeyMFMSXQBSQRKOHH-UHFFFAOYSA-N
MW339.48 g/mol
LogP2.09
Rot. Bonds5

About ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate

ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate (PubChem CID 60577460) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
PubChem CID60577460
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Nameethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)NC(C)CN2CCCC(C)C2)CC1
InChIInChI=1S/C18H33N3O3/c1-4-24-17(22)16-7-10-21(11-8-16)18(23)19-15(3)13-20-9-5-6-14(2)12-20/h14-16H,4-13H2,1-3H3,(H,19,23)
InChIKeyMFMSXQBSQRKOHH-UHFFFAOYSA-N
XLogP2.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
2-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577595
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
CID 119863261
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
ethyl 1-[N'-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154957
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
CID 93035160
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
ethyl 1-(3-amino-2-methylpropyl)piperidine-3-carboxylate
CID 63383012
1,1-diethyl-3-[1-(3-methylpiperidin-1-yl)propan-2-yl]urea
CID 60577973

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate (CID 60577460) is ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)NC(C)CN2CCCC(C)C2)CC1.
What is the InChIKey of ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate?
The InChIKey is MFMSXQBSQRKOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-4-24-17(22)16-7-10-21(11-8-16)18(23)19-15(3)13-20-9-5-6-14(2)12-20/h14-16H,4-13H2,1-3H3,(H,19,23).
What are the key properties of ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate?
ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate has a molecular weight of 339.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(3-methylpiperidin-1-yl)propan-2-ylcarbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 60577460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).