methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate

C15H27N3O3 — CID 79874187

IUPACmethyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCC(N)C(C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11-9-17(6-5-13(11)16)10-14(19)18-7-3-12(4-8-18)15(20)21-2/h11-13H,3-10,16H2,1-2H3
InChIKeyYDPVXRRFYZCDMJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.07
Rot. Bonds3

About methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 79874187) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID79874187
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CN2CCC(N)C(C)C2)CC1
InChIInChI=1S/C15H27N3O3/c1-11-9-17(6-5-13(11)16)10-14(19)18-7-3-12(4-8-18)15(20)21-2/h11-13H,3-10,16H2,1-2H3
InChIKeyYDPVXRRFYZCDMJ-UHFFFAOYSA-N
XLogP0.07
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
2-(4-amino-3-methylpiperidin-1-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 79874632
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
CID 112730542
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
2-(4-amino-3-ethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 81459405
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
methyl 1-[2-[(3R)-3-ethylsulfanylazepan-1-yl]acetyl]piperidine-4-carboxylate
CID 95623030
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
CID 79322433
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate (CID 79874187) is methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CN2CCC(N)C(C)C2)CC1.
What is the InChIKey of methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is YDPVXRRFYZCDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-9-17(6-5-13(11)16)10-14(19)18-7-3-12(4-8-18)15(20)21-2/h11-13H,3-10,16H2,1-2H3.
What are the key properties of methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-amino-3-methylpiperidin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 79874187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).