2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid

C20H23N3O3 — CID 19419554

IUPAC2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid
SMILESNCc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)CC3)cc2)nc1
InChIInChI=1S/C20H23N3O3/c21-12-15-1-6-18(22-13-15)16-2-4-17(5-3-16)20(26)23-9-7-14(8-10-23)11-19(24)25/h1-6,13-14H,7-12,21H2,(H,24,25)
InChIKeyXDRNYWBNMCEUID-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.53
Rot. Bonds5

About 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid

2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid (PubChem CID 19419554) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid
PubChem CID19419554
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid
SMILESNCc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)CC3)cc2)nc1
InChIInChI=1S/C20H23N3O3/c21-12-15-1-6-18(22-13-15)16-2-4-17(5-3-16)20(26)23-9-7-14(8-10-23)11-19(24)25/h1-6,13-14H,7-12,21H2,(H,24,25)
InChIKeyXDRNYWBNMCEUID-UHFFFAOYSA-N
XLogP2.53
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetate
CID 19419547
2-[1-(4-iodobenzoyl)piperidin-4-yl]acetic acid
CID 78980430
2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 79614725
2-[1-[4-(aminomethyl)benzoyl]azetidin-3-yl]acetic acid
CID 64605014
2-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 79615240
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245
2-[1-[[4-[4-(aminomethyl)phenyl]phenyl]methyl]piperidin-4-yl]acetic acid
CID 54302774
2-[1-(4-cyanobenzoyl)piperidin-4-yl]acetic acid
CID 78980423
2-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]acetic acid
CID 79612502
1-[(3R)-1-[6-[4-(aminomethyl)phenyl]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95486329
2-[1-[4-(2-piperidin-4-ylethyl)benzoyl]piperidin-4-yl]acetic acid;hydrochloride
CID 22362370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid (CID 19419554) is 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid is NCc1ccc(-c2ccc(C(=O)N3CCC(CC(=O)O)CC3)cc2)nc1.
What is the InChIKey of 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid?
The InChIKey is XDRNYWBNMCEUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c21-12-15-1-6-18(22-13-15)16-2-4-17(5-3-16)20(26)23-9-7-14(8-10-23)11-19(24)25/h1-6,13-14H,7-12,21H2,(H,24,25).
What are the key properties of 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid?
2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[5-(aminomethyl)-2-pyridinyl]benzoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 19419554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).