(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol

C20H27N3O2 — CID 143724925

IUPAC(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
SMILESCCCO.Nc1cccnc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O.C3H8O/c18-15-7-4-10-19-16(15)17(21)20-11-8-14(9-12-20)13-5-2-1-3-6-13;1-2-3-4/h1-7,10,14H,8-9,11-12,18H2;4H,2-3H2,1H3
InChIKeyBXQKUCMKBRJTQU-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.07
Rot. Bonds3

About (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol

(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol (PubChem CID 143724925) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol.

Molecular Properties

Compound Name(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
PubChem CID143724925
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
SMILESCCCO.Nc1cccnc1C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O.C3H8O/c18-15-7-4-10-19-16(15)17(21)20-11-8-14(9-12-20)13-5-2-1-3-6-13;1-2-3-4/h1-7,10,14H,8-9,11-12,18H2;4H,2-3H2,1H3
InChIKeyBXQKUCMKBRJTQU-UHFFFAOYSA-N
XLogP3.07
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-2-pyridinyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 104742169
N-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 104741726
2-[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 104741733
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
N-[[1-(3-aminopyridine-2-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102736180
(3-amino-2-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 104742473
(3-amino-2-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216905
(3-amino-2-pyridinyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 104740881
(3-amino-2-pyridinyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107219495
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
(3-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107222837
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol?
The IUPAC name of (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol (CID 143724925) is (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol.
What is the SMILES notation for (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol?
The canonical SMILES for (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol is CCCO.Nc1cccnc1C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol?
The InChIKey is BXQKUCMKBRJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.C3H8O/c18-15-7-4-10-19-16(15)17(21)20-11-8-14(9-12-20)13-5-2-1-3-6-13;1-2-3-4/h1-7,10,14H,8-9,11-12,18H2;4H,2-3H2,1H3.
What are the key properties of (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol?
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol has a molecular weight of 341.46 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol is sourced from PubChem (CID 143724925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).