N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide

C20H30N6O4 — CID 54109118

IUPACN-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide
SMILESCCn1nnn(CCN2CC[C@@H](CON(C(C)=O)c3ccccc3)[C@@H](OC)C2)c1=O
InChIInChI=1S/C20H30N6O4/c1-4-24-20(28)25(22-21-24)13-12-23-11-10-17(19(14-23)29-3)15-30-26(16(2)27)18-8-6-5-7-9-18/h5-9,17,19H,4,10-15H2,1-3H3/t17-,19-/m0/s1
InChIKeyNFVCZJACGAMLDC-HKUYNNGSSA-N
MW418.50 g/mol
LogP0.78
Rot. Bonds9

About N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide

N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide (PubChem CID 54109118) has the molecular formula C20H30N6O4 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide.

Molecular Properties

Compound NameN-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide
PubChem CID54109118
Molecular FormulaC20H30N6O4
Molecular Weight418.50 g/mol
Exact Mass418.23
IUPAC NameN-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide
SMILESCCn1nnn(CCN2CC[C@@H](CON(C(C)=O)c3ccccc3)[C@@H](OC)C2)c1=O
InChIInChI=1S/C20H30N6O4/c1-4-24-20(28)25(22-21-24)13-12-23-11-10-17(19(14-23)29-3)15-30-26(16(2)27)18-8-6-5-7-9-18/h5-9,17,19H,4,10-15H2,1-3H3/t17-,19-/m0/s1
InChIKeyNFVCZJACGAMLDC-HKUYNNGSSA-N
XLogP0.78
TPSA94.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide?
The IUPAC name of N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide (CID 54109118) is N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide.
What is the SMILES notation for N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide?
The canonical SMILES for N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide is CCn1nnn(CCN2CC[C@@H](CON(C(C)=O)c3ccccc3)[C@@H](OC)C2)c1=O.
What is the InChIKey of N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide?
The InChIKey is NFVCZJACGAMLDC-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H30N6O4/c1-4-24-20(28)25(22-21-24)13-12-23-11-10-17(19(14-23)29-3)15-30-26(16(2)27)18-8-6-5-7-9-18/h5-9,17,19H,4,10-15H2,1-3H3/t17-,19-/m0/s1.
What are the key properties of N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide?
N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide has a molecular weight of 418.50 g/mol, XLogP of 0.78, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4S)-1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-3-methoxypiperidin-4-yl]methoxy]-N-phenylacetamide is sourced from PubChem (CID 54109118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).