methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate

C15H28N2O2 — CID 83996782

IUPACmethyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(NCC2CC2)CC(C(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)13-6-14(16-7-12-4-5-12)9-17(8-13)10-15(18)19-3/h11-14,16H,4-10H2,1-3H3
InChIKeyIIWNYHNRUCUGJI-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.51
Rot. Bonds6

About methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate

methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate (PubChem CID 83996782) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
PubChem CID83996782
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(NCC2CC2)CC(C(C)C)C1
InChIInChI=1S/C15H28N2O2/c1-11(2)13-6-14(16-7-12-4-5-12)9-17(8-13)10-15(18)19-3/h11-14,16H,4-10H2,1-3H3
InChIKeyIIWNYHNRUCUGJI-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83991939
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225
2-[3-(cyclopropylmethylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83996764
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
methyl 2-[3-(ethylamino)-5-methylpiperidin-1-yl]acetate
CID 83990662
N-[(4-ethylcyclohexyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561721

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate (CID 83996782) is methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate is COC(=O)CN1CC(NCC2CC2)CC(C(C)C)C1.
What is the InChIKey of methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
The InChIKey is IIWNYHNRUCUGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11(2)13-6-14(16-7-12-4-5-12)9-17(8-13)10-15(18)19-3/h11-14,16H,4-10H2,1-3H3.
What are the key properties of methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate?
methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate is sourced from PubChem (CID 83996782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).