N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide

C20H29N3O2 — CID 103597803

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)16-7-4-15(5-8-16)6-9-19(25)22-17-10-12-23(13-11-17)14-18(21)24/h4-9,17H,10-14H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyJYEOHHZTPIEROQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.06
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide (PubChem CID 103597803) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
PubChem CID103597803
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
SMILESCC(C)(C)c1ccc(C=CC(=O)NC2CCN(CC(N)=O)CC2)cc1
InChIInChI=1S/C20H29N3O2/c1-20(2,3)16-7-4-15(5-8-16)6-9-19(25)22-17-10-12-23(13-11-17)14-18(21)24/h4-9,17H,10-14H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyJYEOHHZTPIEROQ-UHFFFAOYSA-N
XLogP2.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide (CID 103597803) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide is CC(C)(C)c1ccc(C=CC(=O)NC2CCN(CC(N)=O)CC2)cc1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide?
The InChIKey is JYEOHHZTPIEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-20(2,3)16-7-4-15(5-8-16)6-9-19(25)22-17-10-12-23(13-11-17)14-18(21)24/h4-9,17H,10-14H2,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide has a molecular weight of 343.47 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide is sourced from PubChem (CID 103597803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).