methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate

C21H25N3O3 — CID 19419547

IUPACmethyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(CN)cn3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-27-20(25)12-15-8-10-24(11-9-15)21(26)18-5-3-17(4-6-18)19-7-2-16(13-22)14-23-19/h2-7,14-15H,8-13,22H2,1H3
InChIKeyHTTVZIRAANLSNF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate

methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate (PubChem CID 19419547) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate
PubChem CID19419547
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namemethyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(CN)cn3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-27-20(25)12-15-8-10-24(11-9-15)21(26)18-5-3-17(4-6-18)19-7-2-16(13-22)14-23-19/h2-7,14-15H,8-13,22H2,1H3
InChIKeyHTTVZIRAANLSNF-UHFFFAOYSA-N
XLogP2.62
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid
CID 19419554
methyl 2-[1-[2-(4-carbamimidoylphenyl)pyrimidine-5-carbonyl]piperidin-4-yl]acetate
CID 19419661
methyl 2-[1-[4-(2-pyridin-4-ylethenyl)benzoyl]piperidin-4-yl]acetate
CID 67800629
methyl 2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetate;hydrochloride
CID 22362311
methyl 2-[1-[4-[4-(N-prop-2-enoxycarbonylcarbamimidoyl)phenyl]benzoyl]piperidin-4-yl]acetate
CID 139633151
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95486329
pentan-3-yl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate;hydrochloride
CID 67879973
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
morpholin-4-yl-[4-(5-pentyl-2-pyridinyl)phenyl]methanone
CID 5104728
[4-(methoxymethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546036
[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 119276704

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate (CID 19419547) is methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(CN)cn3)cc2)CC1.
What is the InChIKey of methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate?
The InChIKey is HTTVZIRAANLSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-20(25)12-15-8-10-24(11-9-15)21(26)18-5-3-17(4-6-18)19-7-2-16(13-22)14-23-19/h2-7,14-15H,8-13,22H2,1H3.
What are the key properties of methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate?
methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate has a molecular weight of 367.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 19419547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).