methyl 3-[piperidin-4-yl(propyl)amino]propanoate

C12H24N2O2 — CID 60806658

IUPACmethyl 3-[piperidin-4-yl(propyl)amino]propanoate
SMILESCCCN(CCC(=O)OC)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-3-9-14(10-6-12(15)16-2)11-4-7-13-8-5-11/h11,13H,3-10H2,1-2H3
InChIKeyOPQWIHZNZOULSD-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About methyl 3-[piperidin-4-yl(propyl)amino]propanoate

methyl 3-[piperidin-4-yl(propyl)amino]propanoate (PubChem CID 60806658) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 3-[piperidin-4-yl(propyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[piperidin-4-yl(propyl)amino]propanoate
PubChem CID60806658
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 3-[piperidin-4-yl(propyl)amino]propanoate
SMILESCCCN(CCC(=O)OC)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-3-9-14(10-6-12(15)16-2)11-4-7-13-8-5-11/h11,13H,3-10H2,1-2H3
InChIKeyOPQWIHZNZOULSD-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740
methyl 3-[acetyl(piperidin-4-yl)amino]propanoate;hydrochloride
CID 67598911
N-[2-[piperidin-4-yl(propyl)amino]ethyl]acetamide
CID 60807684
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-(cyclopropylmethyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806815
methyl 3-[2-[bis[2-[cyclododecyl-(3-methoxy-3-oxopropyl)amino]ethyl]amino]ethyl-cyclododecylamino]propanoate
CID 15664430
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630
N-(2,6-dichlorophenyl)-3-[piperidin-4-yl(propyl)amino]propanamide
CID 119932799
methyl 3-[ethyl(oxan-4-yl)amino]propanoate
CID 63937112
3,3-dimethyl-1-[piperidin-4-yl(propyl)amino]butan-2-one
CID 62030880

Frequently Asked Questions

What is the IUPAC name of methyl 3-[piperidin-4-yl(propyl)amino]propanoate?
The IUPAC name of methyl 3-[piperidin-4-yl(propyl)amino]propanoate (CID 60806658) is methyl 3-[piperidin-4-yl(propyl)amino]propanoate.
What is the SMILES notation for methyl 3-[piperidin-4-yl(propyl)amino]propanoate?
The canonical SMILES for methyl 3-[piperidin-4-yl(propyl)amino]propanoate is CCCN(CCC(=O)OC)C1CCNCC1.
What is the InChIKey of methyl 3-[piperidin-4-yl(propyl)amino]propanoate?
The InChIKey is OPQWIHZNZOULSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-14(10-6-12(15)16-2)11-4-7-13-8-5-11/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 3-[piperidin-4-yl(propyl)amino]propanoate?
methyl 3-[piperidin-4-yl(propyl)amino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[piperidin-4-yl(propyl)amino]propanoate is sourced from PubChem (CID 60806658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).