N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

C18H27N3O3 — CID 124687153

IUPACN-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc([C@H](CC(=O)N2CC[C@@H](N)C[C@@H]2C)NC(C)=O)cc1
InChIInChI=1S/C18H27N3O3/c1-12-10-15(19)8-9-21(12)18(23)11-17(20-13(2)22)14-4-6-16(24-3)7-5-14/h4-7,12,15,17H,8-11,19H2,1-3H3,(H,20,22)/t12-,15+,17-/m0/s1
InChIKeyHVKQRKOCXCKPPV-MJEQTWJJSA-N
MW333.43 g/mol
LogP1.60
Rot. Bonds5

About N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide

N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (PubChem CID 124687153) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
PubChem CID124687153
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
SMILESCOc1ccc([C@H](CC(=O)N2CC[C@@H](N)C[C@@H]2C)NC(C)=O)cc1
InChIInChI=1S/C18H27N3O3/c1-12-10-15(19)8-9-21(12)18(23)11-17(20-13(2)22)14-4-6-16(24-3)7-5-14/h4-7,12,15,17H,8-11,19H2,1-3H3,(H,20,22)/t12-,15+,17-/m0/s1
InChIKeyHVKQRKOCXCKPPV-MJEQTWJJSA-N
XLogP1.60
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176
N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
(3R)-1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(4-propan-2-ylphenyl)butan-1-one
CID 124682466
1-[3-acetamido-3-(4-methoxyphenyl)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920354
1-(4-amino-2-methylpiperidin-1-yl)-3-(4-methoxyphenyl)but-2-en-1-one
CID 126779850
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
N-[(1R)-1-(4-chlorophenyl)-3-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 25477270
N-[1-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 55919317
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The IUPAC name of N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide (CID 124687153) is N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is COc1ccc([C@H](CC(=O)N2CC[C@@H](N)C[C@@H]2C)NC(C)=O)cc1.
What is the InChIKey of N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
The InChIKey is HVKQRKOCXCKPPV-MJEQTWJJSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-10-15(19)8-9-21(12)18(23)11-17(20-13(2)22)14-4-6-16(24-3)7-5-14/h4-7,12,15,17H,8-11,19H2,1-3H3,(H,20,22)/t12-,15+,17-/m0/s1.
What are the key properties of N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide?
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide is sourced from PubChem (CID 124687153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).