2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one

C22H29N3O — CID 177166738

IUPAC2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
SMILESCCCc1ccc(CC(N)C(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C22H29N3O/c1-2-6-17-9-11-18(12-10-17)15-20(23)22(26)25-14-4-3-8-21(25)19-7-5-13-24-16-19/h5,7,9-13,16,20-21H,2-4,6,8,14-15,23H2,1H3
InChIKeyWQLBQJZFFWEUKO-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.66
Rot. Bonds6

About 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one

2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 177166738) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
PubChem CID177166738
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
SMILESCCCc1ccc(CC(N)C(=O)N2CCCCC2c2cccnc2)cc1
InChIInChI=1S/C22H29N3O/c1-2-6-17-9-11-18(12-10-17)15-20(23)22(26)25-14-4-3-8-21(25)19-7-5-13-24-16-19/h5,7,9-13,16,20-21H,2-4,6,8,14-15,23H2,1H3
InChIKeyWQLBQJZFFWEUKO-UHFFFAOYSA-N
XLogP3.66
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
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1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(2S)-2-(3-phenylphenyl)piperidin-1-yl]propan-1-one
CID 10476117
2-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 115286096
(3-ethyl-1,2-oxazol-5-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45205865
[4-(aminomethyl)phenyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 43575796
(Z)-2-methyl-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]pent-2-en-1-one
CID 95339397
N-[(2S)-3-(4-ethynylphenyl)-1-oxo-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-2-yl]furan-2-carboxamide
CID 177166731
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 162990301

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one (CID 177166738) is 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one is CCCc1ccc(CC(N)C(=O)N2CCCCC2c2cccnc2)cc1.
What is the InChIKey of 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is WQLBQJZFFWEUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-6-17-9-11-18(12-10-17)15-20(23)22(26)25-14-4-3-8-21(25)19-7-5-13-24-16-19/h5,7,9-13,16,20-21H,2-4,6,8,14-15,23H2,1H3.
What are the key properties of 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one?
2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 351.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-propylphenyl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 177166738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).