3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

C19H35N3O4 — CID 42288345

IUPAC3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1
InChIInChI=1S/C19H35N3O4/c1-14(2)13-17(21-15(3)23)19(25)22-10-7-16(8-11-22)5-6-18(24)20-9-12-26-4/h14,16-17H,5-13H2,1-4H3,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyNUHJBNZKYMPLBC-KRWDZBQOSA-N
MW369.51 g/mol
LogP1.32
Rot. Bonds10

About 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide

3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 42288345) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID42288345
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Name3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCC1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1
InChIInChI=1S/C19H35N3O4/c1-14(2)13-17(21-15(3)23)19(25)22-10-7-16(8-11-22)5-6-18(24)20-9-12-26-4/h14,16-17H,5-13H2,1-4H3,(H,20,24)(H,21,23)/t17-/m0/s1
InChIKeyNUHJBNZKYMPLBC-KRWDZBQOSA-N
XLogP1.32
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 42288345) is 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCC1CCN(C(=O)[C@H](CC(C)C)NC(C)=O)CC1.
What is the InChIKey of 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is NUHJBNZKYMPLBC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-14(2)13-17(21-15(3)23)19(25)22-10-7-16(8-11-22)5-6-18(24)20-9-12-26-4/h14,16-17H,5-13H2,1-4H3,(H,20,24)(H,21,23)/t17-/m0/s1.
What are the key properties of 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 369.51 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2S)-2-acetamido-4-methylpentanoyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42288345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).