methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate

C14H24N2O2 — CID 79897203

IUPACmethyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate
SMILESCOC(=O)C=CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-18-14(17)7-12-15-10-5-13(6-11-15)16-8-3-2-4-9-16/h7,12-13H,2-6,8-11H2,1H3
InChIKeyQNBNEKUMPAYBSM-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.62
Rot. Bonds3

About methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate

methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate (PubChem CID 79897203) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate
PubChem CID79897203
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate
SMILESCOC(=O)C=CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H24N2O2/c1-18-14(17)7-12-15-10-5-13(6-11-15)16-8-3-2-4-9-16/h7,12-13H,2-6,8-11H2,1H3
InChIKeyQNBNEKUMPAYBSM-UHFFFAOYSA-N
XLogP1.62
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-prop-1-enyl]-4-pyrrolidin-1-ylpiperidine
CID 145472799
methyl 3-(2-methylazepan-1-yl)prop-2-enoate
CID 79897147
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)prop-2-enoic acid
CID 79896700
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
methyl 3-(3,4-dimethylpiperazin-1-yl)prop-2-enoate
CID 79896522
methyl 3-(3-oxo-1,4-diazepan-1-yl)prop-2-enoate
CID 79897321
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
tert-butyl 4-[(E)-3-methoxy-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 114518397
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 60950466
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
1-cyclopropylpiperidine
CID 10909573

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate?
The IUPAC name of methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate (CID 79897203) is methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate?
The canonical SMILES for methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate is COC(=O)C=CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate?
The InChIKey is QNBNEKUMPAYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-18-14(17)7-12-15-10-5-13(6-11-15)16-8-3-2-4-9-16/h7,12-13H,2-6,8-11H2,1H3.
What are the key properties of methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate?
methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate has a molecular weight of 252.36 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-piperidin-1-ylpiperidin-1-yl)prop-2-enoate is sourced from PubChem (CID 79897203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).