(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide

C17H25N3O3 — CID 119312121

IUPAC(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)[C@H](C)N)CC1
InChIInChI=1S/C17H25N3O3/c1-12(18)17(22)19-14-7-9-20(10-8-14)16(21)11-13-5-3-4-6-15(13)23-2/h3-6,12,14H,7-11,18H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyRXYAFJAVQGBPBG-LBPRGKRZSA-N
MW319.40 g/mol
LogP0.69
Rot. Bonds5

About (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide

(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide (PubChem CID 119312121) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
PubChem CID119312121
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
SMILESCOc1ccccc1CC(=O)N1CCC(NC(=O)[C@H](C)N)CC1
InChIInChI=1S/C17H25N3O3/c1-12(18)17(22)19-14-7-9-20(10-8-14)16(21)11-13-5-3-4-6-15(13)23-2/h3-6,12,14H,7-11,18H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyRXYAFJAVQGBPBG-LBPRGKRZSA-N
XLogP0.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791121
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]benzamide
CID 119763945
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119763931
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]cyclohexane-1-carboxamide
CID 119763933
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
N-cyclopropyl-3-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 24790876
3-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzamide;hydrochloride
CID 86813960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide (CID 119312121) is (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide is COc1ccccc1CC(=O)N1CCC(NC(=O)[C@H](C)N)CC1.
What is the InChIKey of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide?
The InChIKey is RXYAFJAVQGBPBG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(18)17(22)19-14-7-9-20(10-8-14)16(21)11-13-5-3-4-6-15(13)23-2/h3-6,12,14H,7-11,18H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide?
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide has a molecular weight of 319.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 119312121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).