2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide

C14H21N3O — CID 139934483

IUPAC2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
SMILESCc1cc(N2CCC(C(C)C(N)=O)CC2)ccn1
InChIInChI=1S/C14H21N3O/c1-10-9-13(3-6-16-10)17-7-4-12(5-8-17)11(2)14(15)18/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H2,15,18)
InChIKeyJSPNOVGVPXFXRD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.73
Rot. Bonds3

About 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide

2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide (PubChem CID 139934483) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
PubChem CID139934483
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
SMILESCc1cc(N2CCC(C(C)C(N)=O)CC2)ccn1
InChIInChI=1S/C14H21N3O/c1-10-9-13(3-6-16-10)17-7-4-12(5-8-17)11(2)14(15)18/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H2,15,18)
InChIKeyJSPNOVGVPXFXRD-UHFFFAOYSA-N
XLogP1.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 22052415
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
2-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]pyridine-4-carboxamide
CID 39776331
N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 136762079
4-(2-methyl-4-pyridinyl)morpholine-2-carboxamide
CID 133464225
N-(1-cyclohexylethyl)-4-(2-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 122565554
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
3-hydroxy-1-(2-methyl-4-pyridinyl)piperidine-3-carboxamide
CID 128964534
ethyl 2-[4-(2-methyl-4-pyridinyl)cyclohexyl]propanoate
CID 121318744
2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine
CID 113482474

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide (CID 139934483) is 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide is Cc1cc(N2CCC(C(C)C(N)=O)CC2)ccn1.
What is the InChIKey of 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
The InChIKey is JSPNOVGVPXFXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-9-13(3-6-16-10)17-7-4-12(5-8-17)11(2)14(15)18/h3,6,9,11-12H,4-5,7-8H2,1-2H3,(H2,15,18).
What are the key properties of 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide?
2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 139934483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).