ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate

C19H35N3O3 — CID 60569016

IUPACethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NCC(C)(C)N2CCCC(C)C2)C1
InChIInChI=1S/C19H35N3O3/c1-5-25-18(24)21-10-7-9-16(13-21)17(23)20-14-19(3,4)22-11-6-8-15(2)12-22/h15-16H,5-14H2,1-4H3,(H,20,23)
InChIKeyNXPMVFMYWQXPCY-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.48
Rot. Bonds5

About ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate

ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 60569016) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
PubChem CID60569016
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nameethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NCC(C)(C)N2CCCC(C)C2)C1
InChIInChI=1S/C19H35N3O3/c1-5-25-18(24)21-10-7-9-16(13-21)17(23)20-14-19(3,4)22-11-6-8-15(2)12-22/h15-16H,5-14H2,1-4H3,(H,20,23)
InChIKeyNXPMVFMYWQXPCY-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60568645
ethyl (3S)-3-[[(2R)-2-hydroxypentyl]carbamoyl]piperidine-1-carboxylate
CID 124590693
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
ethyl 3-[2-(1,1-dioxothian-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 75438577
ethyl (3S)-3-[2-(1,1-dioxothian-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 97253051
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
2,2,2-trifluoroethyl 3-methylpiperidine-1-carboxylate
CID 65173275
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-phenylbutanamide
CID 110025007
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
(3R)-N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-1-propanoylpiperidine-3-carboxamide
CID 95783277
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate (CID 60569016) is ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)NCC(C)(C)N2CCCC(C)C2)C1.
What is the InChIKey of ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is NXPMVFMYWQXPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-5-25-18(24)21-10-7-9-16(13-21)17(23)20-14-19(3,4)22-11-6-8-15(2)12-22/h15-16H,5-14H2,1-4H3,(H,20,23).
What are the key properties of ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate?
ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-methyl-2-(3-methylpiperidin-1-yl)propyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 60569016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).